methyl 1-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]cyclohexanecarboxylate CAS Name: 1-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[(1-tosylisonipecotoyl)amino]cyclohexanecarboxylic acid methyl ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3(CCCCC3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3(CCCCC3)C(=O)OC

InChI

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