dimethyl 3-[4-[(4-chloranyl-3-sulfamoyl-phenyl)carbonylamino]pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-[(4-chloranyl-3-sulfamoyl-phenyl)carbonylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[(4-chloro-3-sulfamoyl-benzoyl)amino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[(4-chloro-3-sulfamoylphenyl)-oxomethyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[(4-chloro-3-sulfamoylbenzoyl)amino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[(4-chloro-3-sulfamoyl-benzoyl)amino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C17H19ClN4O7S MolecularWeight: 458.87336

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N

Isomeric SMILES

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N

InChI

InChI=1S/C17H19ClN4O7S/c1-28-15(23)6-12(7-16(24)29-2)22-9-11(8-20-22)21-17(25)10-3-4-13(18)14(5-10)30(19,26)27/h3-5,8-9,12H,6-7H2,1-2H3,(H,21,25)(H2,19,26,27)