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

Systemtic Name: N-(2-methylphenyl)-4-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: N-(o-tolyl)-4-[4-(p-tolylmethyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide CAS Name: N-(2-methylphenyl)-4-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]benzenesulfonamide IUPAC Name: N-(2-methylphenyl)-4-[4-[(4-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]benzenesulfonamide Traditional Name: 4-[4-(4-methylbenzyl)-1,4-diazepane-1-carbonyl]-N-(o-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=C(C=C3)S(=O)(=O)NC4=CC=CC=C4C

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=C4C

InChI

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