CHEBI:108437 - 2-[3-[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]-4-oxo-1,3-benzothiazin-2-ylidene]acetonitrile

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[3-[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]-4-oxo-1,3-benzothiazin-2-ylidene]acetonitrile
ChEBI ID CHEBI:108437
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H20N4O4S2
Net Charge 0
Average Mass 468.552
Monoisotopic Mass 468.09260
InChI InChI=1S/C22H20N4O4S2/c23-11-10-21-26(22(28)18-8-4-5-9-19(18)31-21)16-20(27)24-12-14-25(15-13-24)32(29,30)17-6-2-1-3-7-17/h1-10H,12-16H2
InChIKey GVNBQXUVOARBAP-UHFFFAOYSA-N
SMILES C1CN(CCN1C(=O)CN2C(=CC#N)SC3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=CC=C4
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via benzothiazine )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2-[3-[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]-4-oxo-1,3-benzothiazin-2-ylidene]acetonitrile (CHEBI:108437) is a benzothiazine (CHEBI:46899)
Manual Xref Database
LSM-19813 LINCS
View more database links