(E)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]carbonyl-3-(4-methylphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]carbonyl-3-(4-methylphenyl)prop-2-enenitrile Openeye Name: (E)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-3-(p-tolyl)prop-2-enenitrile CAS Name: (E)-2-[[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-3-(4-methylphenyl)-2-propenenitrile IUPAC Name: (E)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-3-(4-methylphenyl)prop-2-enenitrile Traditional Name: (E)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-3-(p-tolyl)acrylonitrile Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O3S/c1-17-4-7-20(8-5-17)15-21(16-24)23(27)25-10-12-26(13-11-25)30(28,29)22-9-6-18(2)19(3)14-22/h4-9,14-15H,10-13H2,1-3H3/b21-15+