ethyl 1-[1-(5-chloranyl-2-ethoxy-phenyl)sulfonylpiperidin-4-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-(5-chloranyl-2-ethoxy-phenyl)sulfonylpiperidin-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-(5-chloro-2-ethoxy-phenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-(5-chloro-2-ethoxyphenyl)sulfonyl-4-piperidinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(5-chloro-2-ethoxyphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(5-chloro-2-ethoxy-phenyl)sulfonylisonipecotoyl]isonipecotic acid ethyl ester Formula: C22H31ClN2O6S MolecularWeight: 487.00934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C22H31ClN2O6S/c1-3-30-19-6-5-18(23)15-20(19)32(28,29)25-13-9-16(10-14-25)21(26)24-11-7-17(8-12-24)22(27)31-4-2/h5-6,15-17H,3-4,7-14H2,1-2H3