3-(azepan-1-ylsulfonyl)-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[2-methyl-4-(1-pyrrolidinyl)phenyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(2-methyl-4-pyrrolidino-phenyl)benzamide Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H31N3O3S/c1-19-17-21(26-13-6-7-14-26)11-12-23(19)25-24(28)20-9-8-10-22(18-20)31(29,30)27-15-4-2-3-5-16-27/h8-12,17-18H,2-7,13-16H2,1H3,(H,25,28)