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

Systemtic Name: ethyl 1-[1-(4-methoxy-3-methyl-phenyl)sulfonylpiperidin-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-(4-methoxy-3-methyl-phenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-(4-methoxy-3-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(4-methoxy-3-methyl-phenyl)sulfonylisonipecotoyl]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)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)C

Isomeric SMILES

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

InChI

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