N-[2-(azepan-1-ylcarbonyl)phenyl]-3-methyl-4-(phenylsulfonylamino)benzamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-3-methyl-4-(phenylsulfonylamino)benzamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-4-(benzenesulfonamido)-3-methyl-benzamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-4-(benzenesulfonamido)-3-methylbenzamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-4-(benzenesulfonamido)-3-methylbenzamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-4-(benzenesulfonamido)-3-methyl-benzamide Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)N3CCCCCC3)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)N3CCCCCC3)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H29N3O4S/c1-20-19-21(15-16-24(20)29-35(33,34)22-11-5-4-6-12-22)26(31)28-25-14-8-7-13-23(25)27(32)30-17-9-2-3-10-18-30/h4-8,11-16,19,29H,2-3,9-10,17-18H2,1H3,(H,28,31)