4-(azepan-1-ylsulfonyl)-N-[2-(3-methylphenyl)ethyl]benzenesulfonamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[2-(3-methylphenyl)ethyl]benzenesulfonamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[2-(m-tolyl)ethyl]benzenesulfonamide CAS Name: 4-(1-azepanylsulfonyl)-N-[2-(3-methylphenyl)ethyl]benzenesulfonamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[2-(3-methylphenyl)ethyl]benzenesulfonamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[2-(m-tolyl)ethyl]benzenesulfonamide Formula: C21H28N2O4S2 MolecularWeight: 436.58802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CCNS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)CCNS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H28N2O4S2/c1-18-7-6-8-19(17-18)13-14-22-28(24,25)20-9-11-21(12-10-20)29(26,27)23-15-4-2-3-5-16-23/h6-12,17,22H,2-5,13-16H2,1H3