2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(p-tolyl)acetamide CAS Name: 2-[3-(1-azepanylsulfonyl)anilino]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(4-methylphenyl)acetamide Traditional Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(p-tolyl)acetamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CNC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CNC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H27N3O3S/c1-17-9-11-18(12-10-17)23-21(25)16-22-19-7-6-8-20(15-19)28(26,27)24-13-4-2-3-5-14-24/h6-12,15,22H,2-5,13-14,16H2,1H3,(H,23,25)