methyl 1-[[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[4-[[(2R)-2-methyl-1-piperidyl]sulfonyl]benzoyl]amino]cyclohexanecarboxylate CAS Name: 1-[[[4-[[(2R)-2-methyl-1-piperidinyl]sulfonyl]phenyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[4-[(2R)-2-methylpiperidino]sulfonylbenzoyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3(CCCCC3)C(=O)OC

Isomeric SMILES

C[C@@H]1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3(CCCCC3)C(=O)OC

InChI

InChI=1S/C21H30N2O5S/c1-16-8-4-7-15-23(16)29(26,27)18-11-9-17(10-12-18)19(24)22-21(20(25)28-2)13-5-3-6-14-21/h9-12,16H,3-8,13-15H2,1-2H3,(H,22,24)/t16-/m1/s1