2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonylphenyl]sulfanylbenzenecarbonitrile

Systemtic Name: 2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonylphenyl]sulfanylbenzenecarbonitrile Openeye Name: 2-[2-[4-(p-tolylsulfonyl)piperazine-1-carbonyl]phenyl]sulfanylbenzonitrile CAS Name: 2-[[2-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]phenyl]thio]benzonitrile IUPAC Name: 2-[2-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]sulfanylbenzonitrile Traditional Name: 2-[[2-(4-tosylpiperazine-1-carbonyl)phenyl]thio]benzonitrile Formula: C25H23N3O3S2 MolecularWeight: 477.59842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

InChI

InChI=1S/C25H23N3O3S2/c1-19-10-12-21(13-11-19)33(30,31)28-16-14-27(15-17-28)25(29)22-7-3-5-9-24(22)32-23-8-4-2-6-20(23)18-26/h2-13H,14-17H2,1H3