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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)sulfamoyl]benzoate CAS Name: 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 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzoate Traditional Name: 3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)sulfamoyl]benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C26H22N4O5S2 MolecularWeight: 534.60668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22N4O5S2/c1-17-24(25(31)30(29(17)2)19-10-4-3-5-11-19)28-37(33,34)20-12-8-9-18(15-20)26(32)35-16-23-27-21-13-6-7-14-22(21)36-23/h3-15,28H,16H2,1-2H3