2-azanyl-4-[[4-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)phenyl]carbonylamino]benzenesulfonic acid

Systemtic Name: 2-azanyl-4-[[4-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)phenyl]carbonylamino]benzenesulfonic acid Openeye Name: 2-amino-4-[[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzoyl]amino]benzenesulfonic acid CAS Name: 2-amino-4-[[[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-oxomethyl]amino]benzenesulfonic acid IUPAC Name: 2-amino-4-[[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzoyl]amino]benzenesulfonic acid Traditional Name: 2-amino-4-[[4-(5-keto-3-methyl-2-pyrazolin-1-yl)benzoyl]amino]besylic acid Formula: C17H16N4O5S MolecularWeight: 388.39774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)C2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)S(=O)(=O)O)N

Isomeric SMILES

CC1=NN(C(=O)C1)C2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)S(=O)(=O)O)N

InChI

InChI=1S/C17H16N4O5S/c1-10-8-16(22)21(20-10)13-5-2-11(3-6-13)17(23)19-12-4-7-15(14(18)9-12)27(24,25)26/h2-7,9H,8,18H2,1H3,(H,19,23)(H,24,25,26)