4-bromanyl-5-piperazin-1-ylsulfonyl-isoquinoline dihydrochloride

Systemtic Name: 4-bromanyl-5-piperazin-1-ylsulfonyl-isoquinoline dihydrochloride Openeye Name: 4-bromo-5-piperazin-1-ylsulfonyl-isoquinoline dihydrochloride CAS Name: 4-bromo-5-(1-piperazinylsulfonyl)isoquinoline dihydrochloride IUPAC Name: 4-bromo-5-piperazin-1-ylsulfonylisoquinoline dihydrochloride Traditional Name: 4-bromo-5-piperazinosulfonyl-isoquinoline dihydrochloride Formula: C13H16BrCl2N3O2S MolecularWeight: 429.16004

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)S(=O)(=O)C2=CC=CC3=CN=CC(=C32)Br.Cl.Cl

Isomeric SMILES

C1CN(CCN1)S(=O)(=O)C2=CC=CC3=CN=CC(=C32)Br.Cl.Cl

InChI

InChI=1S/C13H14BrN3O2S.2ClH/c14-11-9-16-8-10-2-1-3-12(13(10)11)20(18,19)17-6-4-15-5-7-17;;/h1-3,8-9,15H,4-7H2;2*1H