4-[[5-azanyl-1-(2-nitrophenyl)carbonyl-1,2,4-triazol-3-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[5-azanyl-1-(2-nitrophenyl)carbonyl-1,2,4-triazol-3-yl]amino]benzenesulfonamide Openeye Name: 4-[[5-amino-1-(2-nitrobenzoyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide CAS Name: 4-[[5-amino-1-[(2-nitrophenyl)-oxomethyl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide IUPAC Name: 4-[[5-amino-1-(2-nitrobenzoyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide Traditional Name: 4-[[5-amino-1-(2-nitrobenzoyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide Formula: C15H13N7O5S MolecularWeight: 403.37262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)N2C(=NC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)N2C(=NC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N)N)[N+](=O)[O-]

InChI

InChI=1S/C15H13N7O5S/c16-14-19-15(18-9-5-7-10(8-6-9)28(17,26)27)20-21(14)13(23)11-3-1-2-4-12(11)22(24)25/h1-8H,(H2,17,26,27)(H3,16,18,19,20)