4-chloranyl-3-[(2-methoxy-5-nitro-phenyl)sulfamoyl]-N-(1H-1,2,4-triazol-5-yl)benzamide

Systemtic Name: 4-chloranyl-3-[(2-methoxy-5-nitro-phenyl)sulfamoyl]-N-(1H-1,2,4-triazol-5-yl)benzamide Openeye Name: 4-chloro-3-[(2-methoxy-5-nitro-phenyl)sulfamoyl]-N-(1H-1,2,4-triazol-5-yl)benzamide CAS Name: 4-chloro-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-(1H-1,2,4-triazol-5-yl)benzamide IUPAC Name: 4-chloro-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-(1H-1,2,4-triazol-5-yl)benzamide Traditional Name: 4-chloro-3-[(2-methoxy-5-nitro-phenyl)sulfamoyl]-N-(1H-1,2,4-triazol-5-yl)benzamide Formula: C16H13ClN6O6S MolecularWeight: 452.82902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NC=NN3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NC=NN3)Cl

InChI

InChI=1S/C16H13ClN6O6S/c1-29-13-5-3-10(23(25)26)7-12(13)22-30(27,28)14-6-9(2-4-11(14)17)15(24)20-16-18-8-19-21-16/h2-8,22H,1H3,(H2,18,19,20,21,24)