ethyl 1-(4-methoxy-3-piperidin-1-ylcarbonyl-phenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-(4-methoxy-3-piperidin-1-ylcarbonyl-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-methoxy-3-(piperidine-1-carbonyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[4-methoxy-3-[oxo(1-piperidinyl)methyl]phenyl]sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-methoxy-3-(piperidine-1-carbonyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[4-methoxy-3-(piperidine-1-carbonyl)phenyl]sulfonylisonipecotic acid ethyl ester Formula: C21H30N2O6S MolecularWeight: 438.5377

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCCCC3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCCCC3

InChI

InChI=1S/C21H30N2O6S/c1-3-29-21(25)16-9-13-23(14-10-16)30(26,27)17-7-8-19(28-2)18(15-17)20(24)22-11-5-4-6-12-22/h7-8,15-16H,3-6,9-14H2,1-2H3