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

Systemtic Name: ethyl 1-[3-chloranyl-4-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3-chloro-4-(2-methoxy-2-oxo-ethoxy)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[3-chloro-4-(2-methoxy-2-oxoethoxy)phenyl]sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-chloro-4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[3-chloro-4-(2-keto-2-methoxy-ethoxy)phenyl]sulfonylisonipecotic acid ethyl ester Formula: C17H22ClNO7S MolecularWeight: 419.87708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)OC)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)OC)Cl

InChI

InChI=1S/C17H22ClNO7S/c1-3-25-17(21)12-6-8-19(9-7-12)27(22,23)13-4-5-15(14(18)10-13)26-11-16(20)24-2/h4-5,10,12H,3,6-9,11H2,1-2H3