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

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-N-cyclopropyl-benzenesulfonamide Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-N-cyclopropyl-benzenesulfonamide CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl]-N-cyclopropylbenzenesulfonamide IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-N-cyclopropylbenzenesulfonamide Traditional Name: N-cyclopropyl-4-(4-piperonylpiperazino)sulfonyl-benzenesulfonamide Formula: C21H25N3O6S2 MolecularWeight: 479.5697

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC1NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H25N3O6S2/c25-31(26,22-17-2-3-17)18-4-6-19(7-5-18)32(27,28)24-11-9-23(10-12-24)14-16-1-8-20-21(13-16)30-15-29-20/h1,4-8,13,17,22H,2-3,9-12,14-15H2