(1R,2S)-2-[2-(4-sulfamoylphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1R,2S)-2-[2-(4-sulfamoylphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1R,2S)-2-[2-(4-sulfamoylphenyl)ethylcarbamoyl]cyclohexanecarboxylic acid CAS Name: (1R,2S)-2-[oxo-[2-(4-sulfamoylphenyl)ethylamino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2S)-2-[2-(4-sulfamoylphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1R,2S)-2-[2-(4-sulfamoylphenyl)ethylcarbamoyl]cyclohexanecarboxylic acid Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)C(=O)O

Isomeric SMILES

C1CC[C@H]([C@H](C1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C16H22N2O5S/c17-24(22,23)12-7-5-11(6-8-12)9-10-18-15(19)13-3-1-2-4-14(13)16(20)21/h5-8,13-14H,1-4,9-10H2,(H,18,19)(H,20,21)(H2,17,22,23)/t13-,14+/m0/s1