5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylisoquinoline

Systemtic Name: 5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylisoquinoline Openeye Name: 5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylisoquinoline CAS Name: 5-[[4-(3-methoxyphenyl)-1-piperazinyl]sulfonyl]isoquinoline IUPAC Name: 5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylisoquinoline Traditional Name: 5-[4-(3-methoxyphenyl)piperazino]sulfonylisoquinoline Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C20H21N3O3S/c1-26-18-6-3-5-17(14-18)22-10-12-23(13-11-22)27(24,25)20-7-2-4-16-15-21-9-8-19(16)20/h2-9,14-15H,10-13H2,1H3