[5-azanyl-1-(4-methoxyphenyl)sulfonyl-pyrazol-3-yl] thiophene-2-sulfonate

Systemtic Name: [5-azanyl-1-(4-methoxyphenyl)sulfonyl-pyrazol-3-yl] thiophene-2-sulfonate Openeye Name: [5-amino-1-(4-methoxyphenyl)sulfonyl-pyrazol-3-yl] thiophene-2-sulfonate CAS Name: 2-thiophenesulfonic acid [5-amino-1-(4-methoxyphenyl)sulfonyl-3-pyrazolyl] ester IUPAC Name: [5-amino-1-(4-methoxyphenyl)sulfonylpyrazol-3-yl] thiophene-2-sulfonate Traditional Name: thiophene-2-sulfonic acid [5-amino-1-(4-methoxyphenyl)sulfonyl-pyrazol-3-yl] ester Formula: C14H13N3O6S3 MolecularWeight: 415.46452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=N2)OS(=O)(=O)C3=CC=CS3)N

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=N2)OS(=O)(=O)C3=CC=CS3)N

InChI

InChI=1S/C14H13N3O6S3/c1-22-10-4-6-11(7-5-10)25(18,19)17-12(15)9-13(16-17)23-26(20,21)14-3-2-8-24-14/h2-9H,15H2,1H3