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

Systemtic Name: ethyl 1-(4-methyl-3-piperidin-1-ylcarbonyl-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-methyl-3-(piperidine-1-carbonyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[4-methyl-3-[oxo(1-piperidinyl)methyl]phenyl]sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-methyl-3-(piperidine-1-carbonyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[4-methyl-3-(piperidine-1-carbonyl)phenyl]sulfonylisonipecotic acid ethyl ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O5S/c1-3-28-21(25)17-9-13-23(14-10-17)29(26,27)18-8-7-16(2)19(15-18)20(24)22-11-5-4-6-12-22/h7-8,15,17H,3-6,9-14H2,1-2H3