5-[4-(2-methylphenyl)piperazin-1-yl]sulfonylisoquinoline

Systemtic Name: 5-[4-(2-methylphenyl)piperazin-1-yl]sulfonylisoquinoline Openeye Name: 5-[4-(o-tolyl)piperazin-1-yl]sulfonylisoquinoline CAS Name: 5-[[4-(2-methylphenyl)-1-piperazinyl]sulfonyl]isoquinoline IUPAC Name: 5-[4-(2-methylphenyl)piperazin-1-yl]sulfonylisoquinoline Traditional Name: 5-[4-(o-tolyl)piperazino]sulfonylisoquinoline Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C20H21N3O2S/c1-16-5-2-3-7-19(16)22-11-13-23(14-12-22)26(24,25)20-8-4-6-17-15-21-10-9-18(17)20/h2-10,15H,11-14H2,1H3