6-chloranyl-5,6-dimethoxy-4-[(phenylmethyl)amino]-5-sulfamoyl-cyclohexa-1,3-diene-1-carboxylic acid

Systemtic Name: 6-chloranyl-5,6-dimethoxy-4-[(phenylmethyl)amino]-5-sulfamoyl-cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 4-(benzylamino)-6-chloro-5,6-dimethoxy-5-sulfamoyl-cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 6-chloro-5,6-dimethoxy-4-[(phenylmethyl)amino]-5-sulfamoyl-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 4-(benzylamino)-6-chloro-5,6-dimethoxy-5-sulfamoylcyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 4-(benzylamino)-6-chloro-5,6-dimethoxy-5-sulfamoyl-cyclohexa-1,3-diene-1-carboxylic acid Formula: C16H19ClN2O6S MolecularWeight: 402.84986

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C(=CC=C(C1(OC)S(=O)(=O)N)NCC2=CC=CC=C2)C(=O)O)Cl

Isomeric SMILES

COC1(C(=CC=C(C1(OC)S(=O)(=O)N)NCC2=CC=CC=C2)C(=O)O)Cl

InChI

InChI=1S/C16H19ClN2O6S/c1-24-15(17)12(14(20)21)8-9-13(16(15,25-2)26(18,22)23)19-10-11-6-4-3-5-7-11/h3-9,19H,10H2,1-2H3,(H,20,21)(H2,18,22,23)