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

Systemtic Name: 3-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[3-methyl-4-(p-tolyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[3-methyl-4-(4-methylphenyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[3-methyl-4-(p-tolyl)piperazino]sulfonylbenzonitrile Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC1CN(CCN1C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H21N3O2S/c1-15-6-8-18(9-7-15)22-11-10-21(14-16(22)2)25(23,24)19-5-3-4-17(12-19)13-20/h3-9,12,16H,10-11,14H2,1-2H3