1,3-benzothiazol-2-ylmethyl 4-chloranyl-3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-chloranyl-3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-chloro-3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)sulfamoyl]benzoate CAS Name: 4-chloro-3-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)sulfamoyl]benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-chloro-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzoate Traditional Name: 4-chloro-3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)sulfamoyl]benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C26H21ClN4O5S2 MolecularWeight: 569.05174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)OCC4=NC5=CC=CC=C5S4)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)OCC4=NC5=CC=CC=C5S4)Cl

InChI

InChI=1S/C26H21ClN4O5S2/c1-16-24(25(32)31(30(16)2)18-8-4-3-5-9-18)29-38(34,35)22-14-17(12-13-19(22)27)26(33)36-15-23-28-20-10-6-7-11-21(20)37-23/h3-14,29H,15H2,1-2H3