N-(oxolan-2-ylmethyl)-3-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide

Systemtic Name: N-(oxolan-2-ylmethyl)-3-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: 3-(4-benzyl-1,4-diazepane-1-carbonyl)-N-(tetrahydrofuran-2-ylmethyl)benzenesulfonamide CAS Name: N-(2-oxolanylmethyl)-3-[oxo-[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]benzenesulfonamide IUPAC Name: 3-(4-benzyl-1,4-diazepane-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide Traditional Name: 3-(4-benzyl-1,4-diazepane-1-carbonyl)-N-(tetrahydrofurfuryl)benzenesulfonamide Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC(OC1)CNS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H31N3O4S/c28-24(27-13-6-12-26(14-15-27)19-20-7-2-1-3-8-20)21-9-4-11-23(17-21)32(29,30)25-18-22-10-5-16-31-22/h1-4,7-9,11,17,22,25H,5-6,10,12-16,18-19H2