ethyl 1-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-(4-ethoxyphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-(4-ethoxyphenyl)sulfonyl-4-piperidinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(4-ethoxyphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-(1-p-phenetylsulfonylisonipecotoyl)isonipecotic acid ethyl ester Formula: C22H32N2O6S MolecularWeight: 452.56428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O6S/c1-3-29-19-5-7-20(8-6-19)31(27,28)24-15-11-17(12-16-24)21(25)23-13-9-18(10-14-23)22(26)30-4-2/h5-8,17-18H,3-4,9-16H2,1-2H3