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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(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=C(C=C1)N(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/c1-5-37-23-13-11-21(12-14-23)31(39(35,36)25-17-15-24(38-4)16-18-25)19-26(33)29-27-20(2)30(3)32(28(27)34)22-9-7-6-8-10-22/h6-18H,5,19H2,1-4H3,(H,29,33)