N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(2-oxidanylidenepyrrolidin-1-yl)benzamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(2-oxidanylidenepyrrolidin-1-yl)benzamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-(2-oxo-1-pyrrolidinyl)benzamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-(2-oxopyrrolidin-1-yl)benzamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(2-ketopyrrolidino)benzamide Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CC(=CC=C3)N4CCCC4=O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CC(=CC=C3)N4CCCC4=O

InChI

InChI=1S/C24H29N3O5S/c1-32-22-12-11-20(33(30,31)26-13-4-2-3-5-14-26)17-21(22)25-24(29)18-8-6-9-19(16-18)27-15-7-10-23(27)28/h6,8-9,11-12,16-17H,2-5,7,10,13-15H2,1H3,(H,25,29)