[2-(1-tert-butylpyrazol-4-yl)carbonylphenyl] thiophene-2-sulfonate

Systemtic Name: [2-(1-tert-butylpyrazol-4-yl)carbonylphenyl] thiophene-2-sulfonate Openeye Name: [2-(1-tert-butylpyrazole-4-carbonyl)phenyl] thiophene-2-sulfonate CAS Name: 2-thiophenesulfonic acid [2-[(1-tert-butyl-4-pyrazolyl)-oxomethyl]phenyl] ester IUPAC Name: [2-(1-tert-butylpyrazole-4-carbonyl)phenyl] thiophene-2-sulfonate Traditional Name: thiophene-2-sulfonic acid [2-(1-tert-butylpyrazole-4-carbonyl)phenyl] ester Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C=N1)C(=O)C2=CC=CC=C2OS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(C)(C)N1C=C(C=N1)C(=O)C2=CC=CC=C2OS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H18N2O4S2/c1-18(2,3)20-12-13(11-19-20)17(21)14-7-4-5-8-15(14)24-26(22,23)16-9-6-10-25-16/h4-12H,1-3H3