(2-acetamido-1,3-thiazol-4-yl)methyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (2-acetamidothiazol-4-yl)methyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-ethoxycarbonylphenyl)sulfonyl-4-piperidinecarboxylic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-carbethoxyphenyl)sulfonylisonipecotic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C21H25N3O7S2 MolecularWeight: 495.5691

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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=CSC(=N3)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CSC(=N3)NC(=O)C

InChI

InChI=1S/C21H25N3O7S2/c1-3-30-19(26)15-4-6-18(7-5-15)33(28,29)24-10-8-16(9-11-24)20(27)31-12-17-13-32-21(23-17)22-14(2)25/h4-7,13,16H,3,8-12H2,1-2H3,(H,22,23,25)