1-cyanoethyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: 1-cyanoethyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: 1-cyanoethyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-ethoxycarbonylphenyl)sulfonyl-4-piperidinecarboxylic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-carbethoxyphenyl)sulfonylisonipecotic acid 1-cyanoethyl ester Formula: C18H22N2O6S MolecularWeight: 394.44208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC(C)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC(C)C#N

InChI

InChI=1S/C18H22N2O6S/c1-3-25-17(21)14-4-6-16(7-5-14)27(23,24)20-10-8-15(9-11-20)18(22)26-13(2)12-19/h4-7,13,15H,3,8-11H2,1-2H3