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

Systemtic Name: [5-azanyl-1-[4-(4-methoxyphenyl)phenyl]sulfonyl-pyrazol-3-yl] thiophene-2-carboxylate Openeye Name: [5-amino-1-[4-(4-methoxyphenyl)phenyl]sulfonyl-pyrazol-3-yl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [5-amino-1-[4-(4-methoxyphenyl)phenyl]sulfonyl-3-pyrazolyl] ester IUPAC Name: [5-amino-1-[4-(4-methoxyphenyl)phenyl]sulfonylpyrazol-3-yl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [5-amino-1-[4-(4-methoxyphenyl)phenyl]sulfonyl-pyrazol-3-yl] ester Formula: C21H17N3O5S2 MolecularWeight: 455.50678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N3C(=CC(=N3)OC(=O)C4=CC=CS4)N

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N3C(=CC(=N3)OC(=O)C4=CC=CS4)N

InChI

InChI=1S/C21H17N3O5S2/c1-28-16-8-4-14(5-9-16)15-6-10-17(11-7-15)31(26,27)24-19(22)13-20(23-24)29-21(25)18-3-2-12-30-18/h2-13H,22H2,1H3