methyl 4-[[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]sulfamoyl]benzoate

Systemtic Name: methyl 4-[[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]sulfamoyl]benzoate Openeye Name: methyl 4-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]sulfamoyl]benzoate CAS Name: 4-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]sulfamoyl]benzoate Traditional Name: 4-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]sulfamoyl]benzoic acid methyl ester Formula: C16H13ClN4O4S MolecularWeight: 392.81682

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3

InChI

InChI=1S/C16H13ClN4O4S/c1-25-16(22)11-2-5-13(6-3-11)26(23,24)20-14-8-12(17)4-7-15(14)21-10-18-9-19-21/h2-10,20H,1H3