3,4-dimethyl-5-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]sulfamoyl]benzoate

Systemtic Name: 3,4-dimethyl-5-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]sulfamoyl]benzoate Openeye Name: 3,4-dimethyl-5-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]sulfamoyl]benzoate CAS Name: 3,4-dimethyl-5-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]sulfamoyl]benzoate IUPAC Name: 3,4-dimethyl-5-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]sulfamoyl]benzoate Traditional Name: 3,4-dimethyl-5-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]sulfamoyl]benzoate Formula: C16H13N5O4S-2 MolecularWeight: 371.37052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)[O-])S(=O)(=O)NC2=CC=CC(=C2)C3=NN=N[N-]3)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)[O-])S(=O)(=O)NC2=CC=CC(=C2)C3=NN=N[N-]3)C

InChI

InChI=1S/C16H15N5O4S/c1-9-6-12(16(22)23)8-14(10(9)2)26(24,25)19-13-5-3-4-11(7-13)15-17-20-21-18-15/h3-8,19H,1-2H3,(H2,17,18,20,21,22,23)/p-2