3-(azepan-1-ylcarbonyl)-4-methoxy-N-[(2-methylphenyl)methyl]benzenesulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-4-methoxy-N-[(2-methylphenyl)methyl]benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-4-methoxy-N-(o-tolylmethyl)benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-4-methoxy-N-[(2-methylphenyl)methyl]benzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-4-methoxy-N-[(2-methylphenyl)methyl]benzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-4-methoxy-N-(2-methylbenzyl)benzenesulfonamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNS(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=CC=C1CNS(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCCCCC3

InChI

InChI=1S/C22H28N2O4S/c1-17-9-5-6-10-18(17)16-23-29(26,27)19-11-12-21(28-2)20(15-19)22(25)24-13-7-3-4-8-14-24/h5-6,9-12,15,23H,3-4,7-8,13-14,16H2,1-2H3