Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 7T9    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C17H19FN2O2S/c1-11(2)23(21,22)20-16-8-13-4-3-12(7-15(13)9-16)14-5-6-17(18)19-10-14/h3-7,10-11,16,20H,8-9H2,1-2H3/t16-/m0/s1
2 InChIKey InChI 1.03 QXQSUBKWSHMXDP-INIZCTEOSA-N
3 SMILES ACDLabs 10.04 Fc3ncc(c1cc2c(cc1)CC(NS(=O)(=O)C(C)C)C2)cc3
4 SMILES CACTVS 3.352 CC(C)[S](=O)(=O)N[CH]1Cc2ccc(cc2C1)c3ccc(F)nc3
5 SMILES OpenEye OEToolkits 1.6.1 CC(C)S(=O)(=O)NC1Cc2ccc(cc2C1)c3ccc(nc3)F
6 Canonical SMILES CACTVS 3.352 CC(C)[S](=O)(=O)N[C@H]1Cc2ccc(cc2C1)c3ccc(F)nc3
7 Canonical SMILES OpenEye OEToolkits 1.6.1 CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)c3ccc(nc3)F