3-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide

Systemtic Name: 3-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide Openeye Name: 3-[4-(o-tolylmethyl)-1,4-diazepane-1-carbonyl]-N-(2-thienylmethyl)benzenesulfonamide CAS Name: 3-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide IUPAC Name: 3-[4-[(2-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide Traditional Name: 3-[4-(2-methylbenzyl)-1,4-diazepane-1-carbonyl]-N-(2-thenyl)benzenesulfonamide Formula: C25H29N3O3S2 MolecularWeight: 483.64606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NCC4=CC=CS4

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NCC4=CC=CS4

InChI

InChI=1S/C25H29N3O3S2/c1-20-7-2-3-8-22(20)19-27-12-6-13-28(15-14-27)25(29)21-9-4-11-24(17-21)33(30,31)26-18-23-10-5-16-32-23/h2-5,7-11,16-17,26H,6,12-15,18-19H2,1H3