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

Systemtic Name: 2-[2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]carbonylphenyl]benzenecarbonitrile Openeye Name: 2-[2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]benzonitrile CAS Name: 2-[2-[oxo-[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazinyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]benzonitrile Traditional Name: 2-[2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]benzonitrile Formula: C28H29N3O3S MolecularWeight: 487.61316

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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=C3C4=CC=CC=C4C#N)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3C4=CC=CC=C4C#N)C)C

InChI

InChI=1S/C28H29N3O3S/c1-19-17-20(2)22(4)27(21(19)3)35(33,34)31-15-13-30(14-16-31)28(32)26-12-8-7-11-25(26)24-10-6-5-9-23(24)18-29/h5-12,17H,13-16H2,1-4H3