ethyl 4-[(E)-2-cyano-2-(3,4-dimethylphenyl)sulfonyl-ethenyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(E)-2-cyano-2-(3,4-dimethylphenyl)sulfonyl-ethenyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(E)-2-cyano-2-(3,4-dimethylphenyl)sulfonyl-vinyl]piperazine-1-carboxylate CAS Name: 4-[(E)-2-cyano-2-(3,4-dimethylphenyl)sulfonylethenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-2-cyano-2-(3,4-dimethylphenyl)sulfonylethenyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-2-cyano-2-(3,4-dimethylphenyl)sulfonyl-vinyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C=C(C#N)S(=O)(=O)C2=CC(=C(C=C2)C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)/C=C(\C#N)/S(=O)(=O)C2=CC(=C(C=C2)C)C

InChI

InChI=1S/C18H23N3O4S/c1-4-25-18(22)21-9-7-20(8-10-21)13-17(12-19)26(23,24)16-6-5-14(2)15(3)11-16/h5-6,11,13H,4,7-10H2,1-3H3/b17-13+