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

Systemtic Name: 2-[4-[2-[(3-methylphenyl)methylsulfanyl]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(m-tolylmethylsulfanyl)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[(3-methylphenyl)methylthio]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[(3-methylphenyl)methylsulfanyl]acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[(3-methylbenzyl)thio]acetyl]piperazino]sulfonylbenzonitrile Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C21H23N3O3S2/c1-17-5-4-6-18(13-17)15-28-16-21(25)23-9-11-24(12-10-23)29(26,27)20-8-3-2-7-19(20)14-22/h2-8,13H,9-12,15-16H2,1H3