4-[3-aminocarbonyl-5-(4-methylsulfonylphenyl)pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[3-aminocarbonyl-5-(4-methylsulfonylphenyl)pyrazol-1-yl]benzoic acid Openeye Name: 4-[3-carbamoyl-5-(4-methylsulfonylphenyl)pyrazol-1-yl]benzoic acid CAS Name: 4-[3-carbamoyl-5-(4-methylsulfonylphenyl)-1-pyrazolyl]benzoic acid IUPAC Name: 4-[3-carbamoyl-5-(4-methylsulfonylphenyl)pyrazol-1-yl]benzoic acid Traditional Name: 4-[3-carbamoyl-5-(4-mesylphenyl)pyrazol-1-yl]benzoic acid Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)C(=O)O)C(=O)N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)C(=O)O)C(=O)N

InChI

InChI=1S/C18H15N3O5S/c1-27(25,26)14-8-4-11(5-9-14)16-10-15(17(19)22)20-21(16)13-6-2-12(3-7-13)18(23)24/h2-10H,1H3,(H2,19,22)(H,23,24)