N-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]-1-oxidanylidene-2H-isoquinoline-5-sulfonamide hydrochloride

Systemtic Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]-1-oxidanylidene-2H-isoquinoline-5-sulfonamide hydrochloride Openeye Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]-1-oxo-2H-isoquinoline-5-sulfonamide hydrochloride CAS Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]ethyl]-1-oxo-2H-isoquinoline-5-sulfonamide hydrochloride IUPAC Name: N-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]-1-oxo-2H-isoquinoline-5-sulfonamide hydrochloride Traditional Name: 1-keto-N-[1-(4-piperonylpiperazino)ethyl]-2H-isoquinoline-5-sulfonamide hydrochloride Formula: C23H27ClN4O5S MolecularWeight: 507.00228

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Descriptors Computed from Structure

Canonical SMILES:

CC(NS(=O)(=O)C1=CC=CC2=C1C=CNC2=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5.Cl

Isomeric SMILES

CC(NS(=O)(=O)C1=CC=CC2=C1C=CNC2=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5.Cl

InChI

InChI=1S/C23H26N4O5S.ClH/c1-16(25-33(29,30)22-4-2-3-19-18(22)7-8-24-23(19)28)27-11-9-26(10-12-27)14-17-5-6-20-21(13-17)32-15-31-20;/h2-8,13,16,25H,9-12,14-15H2,1H3,(H,24,28);1H