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

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-3-methyl-4-(p-tolylsulfonylamino)benzamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-3-methyl-4-(tosylamino)benzamide Formula: C28H31N3O4S MolecularWeight: 505.62844

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C28H31N3O4S/c1-20-11-14-23(15-12-20)36(34,35)30-25-16-13-22(19-21(25)2)27(32)29-26-10-6-5-9-24(26)28(33)31-17-7-3-4-8-18-31/h5-6,9-16,19,30H,3-4,7-8,17-18H2,1-2H3,(H,29,32)