N-[4-acetamido-4-[(4-ethylphenyl)amino]-5-oxidanylidene-1-phenyl-pyrazol-3-yl]-4-[3-(4-methylphenyl)sulfonylpropoxy]benzamide

Systemtic Name: N-[4-acetamido-4-[(4-ethylphenyl)amino]-5-oxidanylidene-1-phenyl-pyrazol-3-yl]-4-[3-(4-methylphenyl)sulfonylpropoxy]benzamide Openeye Name: N-[4-acetamido-4-(4-ethylanilino)-5-oxo-1-phenyl-pyrazol-3-yl]-4-[3-(p-tolylsulfonyl)propoxy]benzamide CAS Name: N-[4-acetamido-4-(4-ethylanilino)-5-oxo-1-phenyl-3-pyrazolyl]-4-[3-(4-methylphenyl)sulfonylpropoxy]benzamide IUPAC Name: N-[4-acetamido-4-(4-ethylanilino)-5-oxo-1-phenylpyrazol-3-yl]-4-[3-(4-methylphenyl)sulfonylpropoxy]benzamide Traditional Name: N-[4-acetamido-4-(4-ethylanilino)-5-keto-1-phenyl-2-pyrazolin-3-yl]-4-(3-tosylpropoxy)benzamide Formula: C36H37N5O6S MolecularWeight: 667.77388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2(C(=NN(C2=O)C3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)OCCCS(=O)(=O)C5=CC=C(C=C5)C)NC(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC2(C(=NN(C2=O)C3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)OCCCS(=O)(=O)C5=CC=C(C=C5)C)NC(=O)C

InChI

InChI=1S/C36H37N5O6S/c1-4-27-13-17-29(18-14-27)39-36(38-26(3)42)34(40-41(35(36)44)30-9-6-5-7-10-30)37-33(43)28-15-19-31(20-16-28)47-23-8-24-48(45,46)32-21-11-25(2)12-22-32/h5-7,9-22,39H,4,8,23-24H2,1-3H3,(H,38,42)(H,37,40,43)