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

Systemtic Name: 4-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[3-methyl-4-(p-tolyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[3-methyl-4-(4-methylphenyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[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=C(C=C3)C#N

Isomeric SMILES

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

InChI

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