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

Systemtic Name: 4-bromanyl-5-piperazin-1-ylsulfonyl-isoquinoline Openeye Name: 4-bromo-5-piperazin-1-ylsulfonyl-isoquinoline CAS Name: 4-bromo-5-(1-piperazinylsulfonyl)isoquinoline IUPAC Name: 4-bromo-5-piperazin-1-ylsulfonylisoquinoline Traditional Name: 4-bromo-5-piperazinosulfonyl-isoquinoline Formula: C13H14BrN3O2S MolecularWeight: 356.23816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14BrN3O2S/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