7-(phenylsulfonyl)-1-piperazin-1-yl-isoquinoline

Systemtic Name: 7-(phenylsulfonyl)-1-piperazin-1-yl-isoquinoline Openeye Name: 7-(benzenesulfonyl)-1-piperazin-1-yl-isoquinoline CAS Name: 7-(benzenesulfonyl)-1-(1-piperazinyl)isoquinoline IUPAC Name: 7-(benzenesulfonyl)-1-piperazin-1-ylisoquinoline Traditional Name: 7-besyl-1-piperazino-isoquinoline Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC=CC3=C2C=C(C=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1)C2=NC=CC3=C2C=C(C=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H19N3O2S/c23-25(24,16-4-2-1-3-5-16)17-7-6-15-8-9-21-19(18(15)14-17)22-12-10-20-11-13-22/h1-9,14,20H,10-13H2