[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl] 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl] 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-[(3-methylisoxazol-5-yl)amino]-2-oxo-ethyl] 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-ethoxycarbonylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-[(3-methyl-5-isoxazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-carbethoxyphenyl)sulfonylisonipecotic acid [2-keto-2-[(3-methylisoxazol-5-yl)amino]ethyl] ester Formula: C21H25N3O8S MolecularWeight: 479.5035

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)NC3=CC(=NO3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)NC3=CC(=NO3)C

InChI

InChI=1S/C21H25N3O8S/c1-3-30-20(26)15-4-6-17(7-5-15)33(28,29)24-10-8-16(9-11-24)21(27)31-13-18(25)22-19-12-14(2)23-32-19/h4-7,12,16H,3,8-11,13H2,1-2H3,(H,22,25)