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

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-N-butyl-benzenesulfonamide Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-N-butyl-benzenesulfonamide CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-N-butylbenzenesulfonamide IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-N-butylbenzenesulfonamide Traditional Name: N-butyl-3-(4-piperonylpiperazine-1-carbonyl)benzenesulfonamide Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H29N3O5S/c1-2-3-9-24-32(28,29)20-6-4-5-19(15-20)23(27)26-12-10-25(11-13-26)16-18-7-8-21-22(14-18)31-17-30-21/h4-8,14-15,24H,2-3,9-13,16-17H2,1H3