1-[2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]cyclohexane-1-carboxylic acid Openeye Name: 1-[2-(4-methylsulfonylanilino)-2-oxo-ethyl]cyclohexanecarboxylic acid CAS Name: 1-[2-(4-methylsulfonylanilino)-2-oxoethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[2-(4-methylsulfonylanilino)-2-oxoethyl]cyclohexane-1-carboxylic acid Traditional Name: 1-[2-keto-2-(4-mesylanilino)ethyl]cyclohexanecarboxylic acid Formula: C16H21NO5S MolecularWeight: 339.40664

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)CC2(CCCCC2)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)CC2(CCCCC2)C(=O)O

InChI

InChI=1S/C16H21NO5S/c1-23(21,22)13-7-5-12(6-8-13)17-14(18)11-16(15(19)20)9-3-2-4-10-16/h5-8H,2-4,9-11H2,1H3,(H,17,18)(H,19,20)