(1R,6S)-6-[(2-oxidanyl-5-sulfamoyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6S)-6-[(2-oxidanyl-5-sulfamoyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[(2-hydroxy-5-sulfamoyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[(2-hydroxy-5-sulfamoylanilino)-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-[(2-hydroxy-5-sulfamoylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[(2-hydroxy-5-sulfamoyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C14H15N2O6S- MolecularWeight: 339.3437

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N)O)C(=O)[O-]

Isomeric SMILES

C1C=CC[C@H]([C@H]1C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N)O)C(=O)[O-]

InChI

InChI=1S/C14H16N2O6S/c15-23(21,22)8-5-6-12(17)11(7-8)16-13(18)9-3-1-2-4-10(9)14(19)20/h1-2,5-7,9-10,17H,3-4H2,(H,16,18)(H,19,20)(H2,15,21,22)/p-1/t9-,10+/m0/s1