2-[[3-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-N-(2,4-dimethylphenyl)benzamide

Systemtic Name: 2-[[3-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-N-(2,4-dimethylphenyl)benzamide Openeye Name: 2-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]-N-(2,4-dimethylphenyl)benzamide CAS Name: 2-[[[3-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]-N-(2,4-dimethylphenyl)benzamide IUPAC Name: 2-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]-N-(2,4-dimethylphenyl)benzamide Traditional Name: 2-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]-N-(2,4-dimethylphenyl)benzamide Formula: C28H31N3O4S MolecularWeight: 505.62844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4)C

InChI

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