4-ethyl-3-[(1-methylpyrazol-4-yl)methylsulfonyl]benzoic acid

Systemtic Name: 4-ethyl-3-[(1-methylpyrazol-4-yl)methylsulfonyl]benzoic acid Openeye Name: 4-ethyl-3-[(1-methylpyrazol-4-yl)methylsulfonyl]benzoic acid CAS Name: 4-ethyl-3-[(1-methyl-4-pyrazolyl)methylsulfonyl]benzoic acid IUPAC Name: 4-ethyl-3-[(1-methylpyrazol-4-yl)methylsulfonyl]benzoic acid Traditional Name: 4-ethyl-3-[(1-methylpyrazol-4-yl)methylsulfonyl]benzoic acid Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2=CN(N=C2)C

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2=CN(N=C2)C

InChI

InChI=1S/C14H16N2O4S/c1-3-11-4-5-12(14(17)18)6-13(11)21(19,20)9-10-7-15-16(2)8-10/h4-8H,3,9H2,1-2H3,(H,17,18)