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

Systemtic Name: 4-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-N-(2-thiophen-2-ylethyl)benzenesulfonamide Openeye Name: 4-[4-(p-tolylmethyl)-1,4-diazepane-1-carbonyl]-N-[2-(2-thienyl)ethyl]benzenesulfonamide CAS Name: 4-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-N-(2-thiophen-2-ylethyl)benzenesulfonamide IUPAC Name: 4-[4-[(4-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]-N-(2-thiophen-2-ylethyl)benzenesulfonamide Traditional Name: 4-[4-(4-methylbenzyl)-1,4-diazepane-1-carbonyl]-N-[2-(2-thienyl)ethyl]benzenesulfonamide Formula: C26H31N3O3S2 MolecularWeight: 497.67264

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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)NCCC4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC4=CC=CS4

InChI

InChI=1S/C26H31N3O3S2/c1-21-5-7-22(8-6-21)20-28-15-3-16-29(18-17-28)26(30)23-9-11-25(12-10-23)34(31,32)27-14-13-24-4-2-19-33-24/h2,4-12,19,27H,3,13-18,20H2,1H3