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

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-N-cyclopentyl-benzenesulfonamide Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-N-cyclopentyl-benzenesulfonamide CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl]-N-cyclopentylbenzenesulfonamide IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-N-cyclopentylbenzenesulfonamide Traditional Name: N-cyclopentyl-4-(4-piperonylpiperazino)sulfonyl-benzenesulfonamide Formula: C23H29N3O6S2 MolecularWeight: 507.62286

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(C1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H29N3O6S2/c27-33(28,24-19-3-1-2-4-19)20-6-8-21(9-7-20)34(29,30)26-13-11-25(12-14-26)16-18-5-10-22-23(15-18)32-17-31-22/h5-10,15,19,24H,1-4,11-14,16-17H2