N-[1-oxidanyl-1-[4-(3-phenoxypropyl)piperazin-1-yl]ethyl]isoquinoline-5-sulfonamide dihydrochloride

Systemtic Name: N-[1-oxidanyl-1-[4-(3-phenoxypropyl)piperazin-1-yl]ethyl]isoquinoline-5-sulfonamide dihydrochloride Openeye Name: N-[1-hydroxy-1-[4-(3-phenoxypropyl)piperazin-1-yl]ethyl]isoquinoline-5-sulfonamide dihydrochloride CAS Name: N-[1-hydroxy-1-[4-(3-phenoxypropyl)-1-piperazinyl]ethyl]-5-isoquinolinesulfonamide dihydrochloride IUPAC Name: N-[1-hydroxy-1-[4-(3-phenoxypropyl)piperazin-1-yl]ethyl]isoquinoline-5-sulfonamide dihydrochloride Traditional Name: N-[1-hydroxy-1-[4-(3-phenoxypropyl)piperazino]ethyl]isoquinoline-5-sulfonamide dihydrochloride Formula: C24H32Cl2N4O4S MolecularWeight: 543.50628

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Descriptors Computed from Structure

Canonical SMILES:

CC(NS(=O)(=O)C1=CC=CC2=C1C=CN=C2)(N3CCN(CC3)CCCOC4=CC=CC=C4)O.Cl.Cl

Isomeric SMILES

CC(NS(=O)(=O)C1=CC=CC2=C1C=CN=C2)(N3CCN(CC3)CCCOC4=CC=CC=C4)O.Cl.Cl

InChI

InChI=1S/C24H30N4O4S.2ClH/c1-24(29,26-33(30,31)23-10-5-7-20-19-25-12-11-22(20)23)28-16-14-27(15-17-28)13-6-18-32-21-8-3-2-4-9-21;;/h2-5,7-12,19,26,29H,6,13-18H2,1H3;2*1H