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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)S(=O)(=O)NC4=CC=CC=C4C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)S(=O)(=O)NC4=CC=CC=C4C

InChI

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