ethyl 1-[3-(cyclohexylcarbamoyl)-4-methyl-phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-(cyclohexylcarbamoyl)-4-methyl-phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3-(cyclohexylcarbamoyl)-4-methyl-phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[3-[(cyclohexylamino)-oxomethyl]-4-methylphenyl]sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(cyclohexylcarbamoyl)-4-methylphenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[3-(cyclohexylcarbamoyl)-4-methyl-phenyl]sulfonylisonipecotic acid ethyl ester Formula: C22H32N2O5S MolecularWeight: 436.56488

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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)NC3CCCCC3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)NC3CCCCC3

InChI

InChI=1S/C22H32N2O5S/c1-3-29-22(26)17-11-13-24(14-12-17)30(27,28)19-10-9-16(2)20(15-19)21(25)23-18-7-5-4-6-8-18/h9-10,15,17-18H,3-8,11-14H2,1-2H3,(H,23,25)