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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methyl-3-(p-tolylsulfonylamino)benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methyl-3-(tosylamino)benzamide Formula: C27H31N3O5S2 MolecularWeight: 541.68214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C27H31N3O5S2/c1-20-10-14-23(15-11-20)36(32,33)29-26-9-7-8-25(21(26)2)27(31)28-22-12-16-24(17-13-22)37(34,35)30-18-5-3-4-6-19-30/h7-17,29H,3-6,18-19H2,1-2H3,(H,28,31)