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

Systemtic Name: N-(4-methylphenyl)-3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: N-(p-tolyl)-3-[4-(p-tolylmethyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide CAS Name: N-(4-methylphenyl)-3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]benzenesulfonamide IUPAC Name: N-(4-methylphenyl)-3-[4-[(4-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]benzenesulfonamide Traditional Name: 3-[4-(4-methylbenzyl)-1,4-diazepane-1-carbonyl]-N-(p-tolyl)benzenesulfonamide Formula: C27H31N3O3S MolecularWeight: 477.61834

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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)NC4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=C(C=C4)C

InChI

InChI=1S/C27H31N3O3S/c1-21-7-11-23(12-8-21)20-29-15-4-16-30(18-17-29)27(31)24-5-3-6-26(19-24)34(32,33)28-25-13-9-22(2)10-14-25/h3,5-14,19,28H,4,15-18,20H2,1-2H3