N-methyl-3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide

Systemtic Name: N-methyl-3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: N-methyl-3-[4-(p-tolylmethyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide CAS Name: N-methyl-3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]benzenesulfonamide IUPAC Name: N-methyl-3-[4-[(4-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]benzenesulfonamide Traditional Name: N-methyl-3-[4-(4-methylbenzyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NC

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NC

InChI

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