methyl 1-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[4-methyl-3-(1-piperidylsulfonyl)benzoyl]amino]cyclohexanecarboxylate CAS Name: 1-[[[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]cyclohexane-1-carboxylate Traditional Name: 1-[(4-methyl-3-piperidinosulfonyl-benzoyl)amino]cyclohexanecarboxylic acid methyl ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2(CCCCC2)C(=O)OC)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2(CCCCC2)C(=O)OC)S(=O)(=O)N3CCCCC3

InChI

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