2-[5-azanyl-4-(4-fluorophenyl)sulfonyl-3-methylsulfanyl-pyrazol-1-yl]-N-(3,4-dimethoxyphenyl)ethanamide

Systemtic Name: 2-[5-azanyl-4-(4-fluorophenyl)sulfonyl-3-methylsulfanyl-pyrazol-1-yl]-N-(3,4-dimethoxyphenyl)ethanamide Openeye Name: 2-[5-amino-4-(4-fluorophenyl)sulfonyl-3-methylsulfanyl-pyrazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide CAS Name: 2-[5-amino-4-(4-fluorophenyl)sulfonyl-3-(methylthio)-1-pyrazolyl]-N-(3,4-dimethoxyphenyl)acetamide IUPAC Name: 2-[5-amino-4-(4-fluorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide Traditional Name: 2-[5-amino-4-(4-fluorophenyl)sulfonyl-3-(methylthio)pyrazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide Formula: C20H21FN4O5S2 MolecularWeight: 480.532943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CN2C(=C(C(=N2)SC)S(=O)(=O)C3=CC=C(C=C3)F)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CN2C(=C(C(=N2)SC)S(=O)(=O)C3=CC=C(C=C3)F)N)OC

InChI

InChI=1S/C20H21FN4O5S2/c1-29-15-9-6-13(10-16(15)30-2)23-17(26)11-25-19(22)18(20(24-25)31-3)32(27,28)14-7-4-12(21)5-8-14/h4-10H,11,22H2,1-3H3,(H,23,26)