ethyl 1-[(3S)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[(3S)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[(3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[(3S)-1-(4-methoxyphenyl)sulfonyl-3-piperidinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[(3S)-1-(4-methoxyphenyl)sulfonylnipecotoyl]isonipecotic acid ethyl ester Formula: C21H30N2O6S MolecularWeight: 438.5377

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H30N2O6S/c1-3-29-21(25)16-10-13-22(14-11-16)20(24)17-5-4-12-23(15-17)30(26,27)19-8-6-18(28-2)7-9-19/h6-9,16-17H,3-5,10-15H2,1-2H3/t17-/m0/s1