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

Systemtic Name: N-(2-cyanoethyl)-4-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: N-(2-cyanoethyl)-4-[4-(p-tolylmethyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide CAS Name: N-(2-cyanoethyl)-4-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]benzenesulfonamide IUPAC Name: N-(2-cyanoethyl)-4-[4-[(4-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]benzenesulfonamide Traditional Name: N-(2-cyanoethyl)-4-[4-(4-methylbenzyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N

InChI

InChI=1S/C23H28N4O3S/c1-19-4-6-20(7-5-19)18-26-14-3-15-27(17-16-26)23(28)21-8-10-22(11-9-21)31(29,30)25-13-2-12-24/h4-11,25H,2-3,13-18H2,1H3