3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-N-(phenylmethyl)benzenesulfonamide Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-N-benzyl-benzenesulfonamide CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-N-benzylbenzenesulfonamide Traditional Name: N-benzyl-3-(4-piperonylpiperazine-1-carbonyl)benzenesulfonamide Formula: C26H27N3O5S MolecularWeight: 493.57468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=CC=C4)S(=O)(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=CC=C4)S(=O)(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C26H27N3O5S/c30-26(22-7-4-8-23(16-22)35(31,32)27-17-20-5-2-1-3-6-20)29-13-11-28(12-14-29)18-21-9-10-24-25(15-21)34-19-33-24/h1-10,15-16,27H,11-14,17-19H2