null CDK 0224162328 null 41 44 0 0 0 0 0 0 0 0999 V2000 5.6736 2.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9114 2.0344 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9114 1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3281 0.6260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5031 0.6260 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7166 -0.1709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7886 0.2135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9197 1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9197 2.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2053 2.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4908 2.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4908 1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2053 0.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7763 2.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0618 2.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6526 2.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3671 2.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0816 2.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0816 3.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3671 3.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6526 3.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5031 2.6178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3281 2.6178 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6438 3.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1416 4.0345 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3236 3.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4573 4.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2752 4.9044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9551 5.4512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2708 6.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7685 6.8679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0843 7.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9022 7.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4044 7.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0887 6.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2224 7.1910 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9506 6.7602 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6438 -0.1362 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1416 -0.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4617 -0.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7775 -1.0061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 14 11 1 4 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 16 1 0 0 0 0 9 22 1 0 0 0 0 22 23 1 0 0 0 0 23 2 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 30 1 0 0 0 0 34 36 1 0 0 0 0 31 37 1 0 0 0 0 4 38 1 0 0 0 0 38 39 1 1 0 0 0 38 40 1 0 0 0 0 40 41 1 0 0 0 0 M END > CHEBI:103820 > LSM-15164 > 2 > C30H33F2N3O5S > 585.664 > 585.21090 > 0 > C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C=CC3=CC=CC=C3)O[C@H]1CN(C)C(=O)NC4=C(C=CC(=C4)F)F)[C@H](C)CO > InChI=1S/C30H33F2N3O5S/c1-20-17-35(21(2)19-36)41(38,39)29-14-11-23(10-9-22-7-5-4-6-8-22)15-27(29)40-28(20)18-34(3)30(37)33-26-16-24(31)12-13-25(26)32/h4-16,20-21,28,36H,17-19H2,1-3H3,(H,33,37)/t20-,21+,28-/m0/s1 > RSLDQNPUEWIABH-GTNJKRJXSA-N > LSM-15164 $$$$