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

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-3-chloranyl-4-[(4-methylphenyl)sulfonylamino]benzamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-3-chloro-4-(p-tolylsulfonylamino)benzamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-3-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-3-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-3-chloro-4-(tosylamino)benzamide Formula: C27H28ClN3O4S MolecularWeight: 526.04692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28ClN3O4S/c1-19-10-13-21(14-11-19)36(34,35)30-25-15-12-20(18-23(25)28)26(32)29-24-9-5-4-8-22(24)27(33)31-16-6-2-3-7-17-31/h4-5,8-15,18,30H,2-3,6-7,16-17H2,1H3,(H,29,32)