N-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]isoquinoline-5-sulfonamide Openeye Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]isoquinoline-5-sulfonamide CAS Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]isoquinoline-5-sulfonamide Traditional Name: N-[1-(4-piperonylpiperazino)ethyl]isoquinoline-5-sulfonamide Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CC(NS(=O)(=O)C1=CC=CC2=C1C=CN=C2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(NS(=O)(=O)C1=CC=CC2=C1C=CN=C2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H26N4O4S/c1-17(25-32(28,29)23-4-2-3-19-14-24-8-7-20(19)23)27-11-9-26(10-12-27)15-18-5-6-21-22(13-18)31-16-30-21/h2-8,13-14,17,25H,9-12,15-16H2,1H3