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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O5S/c1-3-26(4-2)32(28,29)20-8-6-19(7-9-20)23(27)25-13-11-24(12-14-25)16-18-5-10-21-22(15-18)31-17-30-21/h5-10,15H,3-4,11-14,16-17H2,1-2H3