2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(m-tolylmethyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(3-methylphenyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(3-methylbenzyl)piperazino]sulfonylbenzonitrile Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C19H21N3O2S/c1-16-5-4-6-17(13-16)15-21-9-11-22(12-10-21)25(23,24)19-8-3-2-7-18(19)14-20/h2-8,13H,9-12,15H2,1H3