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

Systemtic Name: ethyl 1-[1-(3-chloranyl-4-methoxy-phenyl)sulfonylpiperidin-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-(3-chloro-4-methoxy-phenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-(3-chloro-4-methoxyphenyl)sulfonyl-4-piperidinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(3-chloro-4-methoxy-phenyl)sulfonylisonipecotoyl]isonipecotic acid ethyl ester Formula: C21H29ClN2O6S MolecularWeight: 472.98276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C21H29ClN2O6S/c1-3-30-21(26)16-6-10-23(11-7-16)20(25)15-8-12-24(13-9-15)31(27,28)17-4-5-19(29-2)18(22)14-17/h4-5,14-16H,3,6-13H2,1-2H3