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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=CC=C1CCNS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H28N2O4S2/c1-18-8-4-5-9-19(18)14-15-22-28(24,25)20-10-12-21(13-11-20)29(26,27)23-16-6-2-3-7-17-23/h4-5,8-13,22H,2-3,6-7,14-17H2,1H3