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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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