dimethyl (Z)-2-[(5-chloranyl-2-sulfamoyl-phenyl)amino]but-2-enedioate

Systemtic Name: dimethyl (Z)-2-[(5-chloranyl-2-sulfamoyl-phenyl)amino]but-2-enedioate Openeye Name: dimethyl (Z)-2-(5-chloro-2-sulfamoyl-anilino)but-2-enedioate CAS Name: (Z)-2-(5-chloro-2-sulfamoylanilino)-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (Z)-2-(5-chloro-2-sulfamoylanilino)but-2-enedioate Traditional Name: (Z)-2-(5-chloro-2-sulfamoyl-anilino)but-2-enedioic acid dimethyl ester Formula: C12H13ClN2O6S MolecularWeight: 348.75942

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C(C(=O)OC)NC1=C(C=CC(=C1)Cl)S(=O)(=O)N

Isomeric SMILES

COC(=O)/C=C(/C(=O)OC)\NC1=C(C=CC(=C1)Cl)S(=O)(=O)N

InChI

InChI=1S/C12H13ClN2O6S/c1-20-11(16)6-9(12(17)21-2)15-8-5-7(13)3-4-10(8)22(14,18)19/h3-6,15H,1-2H3,(H2,14,18,19)/b9-6-