N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[(2-ethoxyphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[(2-ethoxyphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonyl-anilino)acetamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-(2-ethoxy-N-[4-(methylthio)phenyl]sulfonylanilino)acetamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide Traditional Name: 2-(2-ethoxy-N-[4-(methylthio)phenyl]sulfonyl-anilino)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C28H30N4O5S2 MolecularWeight: 566.6916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N(CC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)S(=O)(=O)C4=CC=C(C=C4)SC

Isomeric SMILES

CCOC1=CC=CC=C1N(CC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)S(=O)(=O)C4=CC=C(C=C4)SC

InChI

InChI=1S/C28H30N4O5S2/c1-5-37-25-14-10-9-13-24(25)31(39(35,36)23-17-15-22(38-4)16-18-23)19-26(33)29-27-20(2)30(3)32(28(27)34)21-11-7-6-8-12-21/h6-18H,5,19H2,1-4H3,(H,29,33)