4-chloranyl-2-[[4-(1H-pyrazol-5-yl)phenyl]sulfonylcarbamoylamino]benzoic acid

Systemtic Name: 4-chloranyl-2-[[4-(1H-pyrazol-5-yl)phenyl]sulfonylcarbamoylamino]benzoic acid Openeye Name: 4-chloro-2-[[4-(1H-pyrazol-5-yl)phenyl]sulfonylcarbamoylamino]benzoic acid CAS Name: 4-chloro-2-[[oxo-[[4-(1H-pyrazol-5-yl)phenyl]sulfonylamino]methyl]amino]benzoic acid IUPAC Name: 4-chloro-2-[[4-(1H-pyrazol-5-yl)phenyl]sulfonylcarbamoylamino]benzoic acid Traditional Name: 4-chloro-2-[[4-(1H-pyrazol-5-yl)phenyl]sulfonylcarbamoylamino]benzoic acid Formula: C17H13ClN4O5S MolecularWeight: 420.82692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=NN2)S(=O)(=O)NC(=O)NC3=C(C=CC(=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC=NN2)S(=O)(=O)NC(=O)NC3=C(C=CC(=C3)Cl)C(=O)O

InChI

InChI=1S/C17H13ClN4O5S/c18-11-3-6-13(16(23)24)15(9-11)20-17(25)22-28(26,27)12-4-1-10(2-5-12)14-7-8-19-21-14/h1-9H,(H,19,21)(H,23,24)(H2,20,22,25)