N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[methyl-(4-methylphenyl)sulfonyl-amino]benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C27H31N3O5S2/c1-21-11-15-23(16-12-21)36(32,33)29(2)26-10-6-5-9-25(26)27(31)28-22-13-17-24(18-14-22)37(34,35)30-19-7-3-4-8-20-30/h5-6,9-18H,3-4,7-8,19-20H2,1-2H3,(H,28,31)