(1-cyanoindolizin-2-yl)methyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (1-cyanoindolizin-2-yl)methyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-ethoxycarbonylphenyl)sulfonyl-4-piperidinecarboxylic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-carbethoxyphenyl)sulfonylisonipecotic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C25H25N3O6S MolecularWeight: 495.5475

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CN4C=CC=CC4=C3C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CN4C=CC=CC4=C3C#N

InChI

InChI=1S/C25H25N3O6S/c1-2-33-24(29)18-6-8-21(9-7-18)35(31,32)28-13-10-19(11-14-28)25(30)34-17-20-16-27-12-4-3-5-23(27)22(20)15-26/h3-9,12,16,19H,2,10-11,13-14,17H2,1H3