ethyl 4-[(E)-2-cyano-2-(4-methylphenyl)sulfonyl-ethenyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(E)-2-cyano-2-(4-methylphenyl)sulfonyl-ethenyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(E)-2-cyano-2-(p-tolylsulfonyl)vinyl]piperazine-1-carboxylate CAS Name: 4-[(E)-2-cyano-2-(4-methylphenyl)sulfonylethenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-2-cyano-2-(4-methylphenyl)sulfonylethenyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-2-cyano-2-tosyl-vinyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4S/c1-3-24-17(21)20-10-8-19(9-11-20)13-16(12-18)25(22,23)15-6-4-14(2)5-7-15/h4-7,13H,3,8-11H2,1-2H3/b16-13+