N-[2-(azepan-1-ylcarbonyl)phenyl]-3-[(4-methylphenyl)sulfonylamino]benzamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-3-[(4-methylphenyl)sulfonylamino]benzamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-3-(p-tolylsulfonylamino)benzamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-3-[(4-methylphenyl)sulfonylamino]benzamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-3-[(4-methylphenyl)sulfonylamino]benzamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-3-(tosylamino)benzamide Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)N4CCCCCC4

InChI

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