2-[2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]carbonylphenyl]sulfanylethanenitrile

Systemtic Name: 2-[2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]carbonylphenyl]sulfanylethanenitrile Openeye Name: 2-[2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]sulfanylacetonitrile CAS Name: 2-[[2-[oxo-[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazinyl]methyl]phenyl]thio]acetonitrile IUPAC Name: 2-[2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]sulfanylacetonitrile Traditional Name: 2-[[2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]thio]acetonitrile Formula: C23H27N3O3S2 MolecularWeight: 457.60878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3SCC#N)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3SCC#N)C)C

InChI

InChI=1S/C23H27N3O3S2/c1-16-15-17(2)19(4)22(18(16)3)31(28,29)26-12-10-25(11-13-26)23(27)20-7-5-6-8-21(20)30-14-9-24/h5-8,15H,10-14H2,1-4H3