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

Systemtic Name: 5-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]sulfonylisoquinoline Openeye Name: 5-[3-methyl-4-(p-tolyl)piperazin-1-yl]sulfonylisoquinoline CAS Name: 5-[[3-methyl-4-(4-methylphenyl)-1-piperazinyl]sulfonyl]isoquinoline IUPAC Name: 5-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]sulfonylisoquinoline Traditional Name: 5-[3-methyl-4-(p-tolyl)piperazino]sulfonylisoquinoline Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC1CN(CCN1C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H23N3O2S/c1-16-6-8-19(9-7-16)24-13-12-23(15-17(24)2)27(25,26)21-5-3-4-18-14-22-11-10-20(18)21/h3-11,14,17H,12-13,15H2,1-2H3