2-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]carbonylphenyl]sulfanylethanenitrile

Systemtic Name: 2-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]carbonylphenyl]sulfanylethanenitrile Openeye Name: 2-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]sulfanylacetonitrile CAS Name: 2-[[2-[[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]phenyl]thio]acetonitrile IUPAC Name: 2-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]sulfanylacetonitrile Traditional Name: 2-[[2-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]thio]acetonitrile Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3SCC#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3SCC#N

InChI

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