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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[(4-methylphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonyl-anilino)acetamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-(4-methyl-N-[4-(methylthio)phenyl]sulfonylanilino)acetamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-(4-methyl-N-[4-(methylthio)phenyl]sulfonyl-anilino)acetamide Formula: C27H28N4O4S2 MolecularWeight: 536.66562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C27H28N4O4S2/c1-19-10-12-21(13-11-19)30(37(34,35)24-16-14-23(36-4)15-17-24)18-25(32)28-26-20(2)29(3)31(27(26)33)22-8-6-5-7-9-22/h5-17H,18H2,1-4H3,(H,28,32)