N-(4-ethoxyphenyl)-4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide

Systemtic Name: N-(4-ethoxyphenyl)-4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: 4-(4-benzyl-1,4-diazepane-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide CAS Name: N-(4-ethoxyphenyl)-4-[oxo-[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]benzenesulfonamide IUPAC Name: 4-(4-benzyl-1,4-diazepane-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide Traditional Name: 4-(4-benzyl-1,4-diazepane-1-carbonyl)-N-p-phenetyl-benzenesulfonamide Formula: C27H31N3O4S MolecularWeight: 493.61774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O4S/c1-2-34-25-13-11-24(12-14-25)28-35(32,33)26-15-9-23(10-16-26)27(31)30-18-6-17-29(19-20-30)21-22-7-4-3-5-8-22/h3-5,7-16,28H,2,6,17-21H2,1H3