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

Systemtic Name: ethyl 1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-(p-tolylsulfonyl)piperidine-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-(4-methylphenyl)sulfonyl-3-piperidinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-(1-tosylnipecotoyl)isonipecotic acid ethyl ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O5S/c1-3-28-21(25)17-10-13-22(14-11-17)20(24)18-5-4-12-23(15-18)29(26,27)19-8-6-16(2)7-9-19/h6-9,17-18H,3-5,10-15H2,1-2H3