ethyl 2-[(3-phenyl-3,3a,4,5,6,7-hexahydroindazol-2-yl)carbonylsulfamoyl]benzoate

Systemtic Name: ethyl 2-[(3-phenyl-3,3a,4,5,6,7-hexahydroindazol-2-yl)carbonylsulfamoyl]benzoate Openeye Name: ethyl 2-[(3-phenyl-3,3a,4,5,6,7-hexahydroindazole-2-carbonyl)sulfamoyl]benzoate CAS Name: 2-[[oxo-(3-phenyl-3,3a,4,5,6,7-hexahydroindazol-2-yl)methyl]sulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[(3-phenyl-3,3a,4,5,6,7-hexahydroindazole-2-carbonyl)sulfamoyl]benzoate Traditional Name: 2-[(3-phenyl-3,3a,4,5,6,7-hexahydroindazole-2-carbonyl)sulfamoyl]benzoic acid ethyl ester Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)N2C(C3CCCCC3=N2)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)N2C(C3CCCCC3=N2)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O5S/c1-2-31-22(27)18-13-7-9-15-20(18)32(29,30)25-23(28)26-21(16-10-4-3-5-11-16)17-12-6-8-14-19(17)24-26/h3-5,7,9-11,13,15,17,21H,2,6,8,12,14H2,1H3,(H,25,28)