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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-pyrrol-1-yl-benzamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-pyrrol-1-yl-benzamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-(1-pyrrolyl)benzamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-pyrrol-1-ylbenzamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-pyrrol-1-yl-benzamide Formula: C24H27N3O4S MolecularWeight: 453.55388

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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)N4C=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CC(=CC=C3)N4C=CC=C4

InChI

InChI=1S/C24H27N3O4S/c1-31-23-12-11-21(32(29,30)27-15-4-2-3-5-16-27)18-22(23)25-24(28)19-9-8-10-20(17-19)26-13-6-7-14-26/h6-14,17-18H,2-5,15-16H2,1H3,(H,25,28)