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

Systemtic Name: 1-[2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-(4-methylsulfonylanilino)-2-oxo-ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-(4-methylsulfonylanilino)-2-oxoethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-(4-methylsulfonylanilino)-2-oxoethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-keto-2-(4-mesylanilino)ethyl]cycloheptanecarboxylic acid Formula: C17H23NO5S MolecularWeight: 353.43322

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)CC2(CCCCCC2)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)CC2(CCCCCC2)C(=O)O

InChI

InChI=1S/C17H23NO5S/c1-24(22,23)14-8-6-13(7-9-14)18-15(19)12-17(16(20)21)10-4-2-3-5-11-17/h6-9H,2-5,10-12H2,1H3,(H,18,19)(H,20,21)