N-methyl-4-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide

Systemtic Name: N-methyl-4-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: N-methyl-4-[4-(o-tolylmethyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide CAS Name: N-methyl-4-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]benzenesulfonamide IUPAC Name: N-methyl-4-[4-[(2-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]benzenesulfonamide Traditional Name: N-methyl-4-[4-(2-methylbenzyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NC

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NC

InChI

InChI=1S/C21H27N3O3S/c1-17-6-3-4-7-19(17)16-23-12-5-13-24(15-14-23)21(25)18-8-10-20(11-9-18)28(26,27)22-2/h3-4,6-11,22H,5,12-16H2,1-2H3