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

Systemtic Name: ethyl 1-[(3S)-1-(4-methoxy-3-methyl-phenyl)sulfonylpiperidin-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[(3S)-1-(4-methoxy-3-methyl-phenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[(3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-3-piperidinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3S)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[(3S)-1-(4-methoxy-3-methyl-phenyl)sulfonylnipecotoyl]isonipecotic acid ethyl ester Formula: C22H32N2O6S MolecularWeight: 452.56428

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O6S/c1-4-30-22(26)17-9-12-23(13-10-17)21(25)18-6-5-11-24(15-18)31(27,28)19-7-8-20(29-3)16(2)14-19/h7-8,14,17-18H,4-6,9-13,15H2,1-3H3/t18-/m0/s1