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

Systemtic Name: 2-[4-[2-(4-methylphenyl)sulfanylpropanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(p-tolylsulfanyl)propanoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[(4-methylphenyl)thio]-1-oxopropyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(4-methylphenyl)sulfanylpropanoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(p-tolylthio)propanoyl]piperazino]sulfonylbenzonitrile Formula: C21H23N3O3S2 MolecularWeight: 429.55562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S2/c1-16-7-9-19(10-8-16)28-17(2)21(25)23-11-13-24(14-12-23)29(26,27)20-6-4-3-5-18(20)15-22/h3-10,17H,11-14H2,1-2H3