(1R,2S)-2-[(5-ethylsulfonyl-2-oxidanyl-phenyl)carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1R,2S)-2-[(5-ethylsulfonyl-2-oxidanyl-phenyl)carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1R,2S)-2-[(5-ethylsulfonyl-2-hydroxy-phenyl)carbamoyl]cyclohexanecarboxylic acid CAS Name: (1R,2S)-2-[(5-ethylsulfonyl-2-hydroxyanilino)-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2S)-2-[(5-ethylsulfonyl-2-hydroxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1R,2S)-2-[(5-esyl-2-hydroxy-phenyl)carbamoyl]cyclohexanecarboxylic acid Formula: C16H21NO6S MolecularWeight: 355.40604

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)C2CCCCC2C(=O)O

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)[C@H]2CCCC[C@H]2C(=O)O

InChI

InChI=1S/C16H21NO6S/c1-2-24(22,23)10-7-8-14(18)13(9-10)17-15(19)11-5-3-4-6-12(11)16(20)21/h7-9,11-12,18H,2-6H2,1H3,(H,17,19)(H,20,21)/t11-,12+/m0/s1