ethyl 1-[5-(2-azanyl-2-oxidanylidene-ethoxy)-2-chloranyl-4-methyl-phenyl]sulfonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[5-(2-azanyl-2-oxidanylidene-ethoxy)-2-chloranyl-4-methyl-phenyl]sulfonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[5-(2-amino-2-oxo-ethoxy)-2-chloro-4-methyl-phenyl]sulfonylpiperidine-3-carboxylate CAS Name: 1-[5-(2-amino-2-oxoethoxy)-2-chloro-4-methylphenyl]sulfonyl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(2-amino-2-oxoethoxy)-2-chloro-4-methylphenyl]sulfonylpiperidine-3-carboxylate Traditional Name: 1-[5-(2-amino-2-keto-ethoxy)-2-chloro-4-methyl-phenyl]sulfonylnipecotic acid ethyl ester Formula: C17H23ClN2O6S MolecularWeight: 418.89232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=C(C=C(C(=C2)OCC(=O)N)C)Cl

Isomeric SMILES

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=C(C=C(C(=C2)OCC(=O)N)C)Cl

InChI

InChI=1S/C17H23ClN2O6S/c1-3-25-17(22)12-5-4-6-20(9-12)27(23,24)15-8-14(26-10-16(19)21)11(2)7-13(15)18/h7-8,12H,3-6,9-10H2,1-2H3,(H2,19,21)