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

Systemtic Name: N-ethyl-4-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: N-ethyl-4-[4-(o-tolylmethyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide CAS Name: N-ethyl-4-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]benzenesulfonamide IUPAC Name: N-ethyl-4-[4-[(2-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]benzenesulfonamide Traditional Name: N-ethyl-4-[4-(2-methylbenzyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3C

Isomeric SMILES

CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3C

InChI

InChI=1S/C22H29N3O3S/c1-3-23-29(27,28)21-11-9-19(10-12-21)22(26)25-14-6-13-24(15-16-25)17-20-8-5-4-7-18(20)2/h4-5,7-12,23H,3,6,13-17H2,1-2H3