ethyl 1-[(3S)-1-(3-chloranyl-4-ethoxy-phenyl)sulfonylpiperidin-3-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[(3S)-1-(3-chloranyl-4-ethoxy-phenyl)sulfonylpiperidin-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[(3S)-1-(3-chloro-4-ethoxy-phenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[(3S)-1-(3-chloro-4-ethoxyphenyl)sulfonyl-3-piperidinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3S)-1-(3-chloro-4-ethoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[(3S)-1-(3-chloro-4-ethoxy-phenyl)sulfonylnipecotoyl]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)S(=O)(=O)N2CCCC(C2)C(=O)N3CCC(CC3)C(=O)OCC)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)N3CCC(CC3)C(=O)OCC)Cl

InChI

InChI=1S/C22H31ClN2O6S/c1-3-30-20-8-7-18(14-19(20)23)32(28,29)25-11-5-6-17(15-25)21(26)24-12-9-16(10-13-24)22(27)31-4-2/h7-8,14,16-17H,3-6,9-13,15H2,1-2H3/t17-/m0/s1