N-(4-acetamido-5-oxidanylidene-1-phenyl-4-phenylazanyl-pyrazol-3-yl)-4-[3-(3,4,5-trimethylphenyl)sulfonylpropoxy]benzamide; N-ethylethanamine

Systemtic Name: N-(4-acetamido-5-oxidanylidene-1-phenyl-4-phenylazanyl-pyrazol-3-yl)-4-[3-(3,4,5-trimethylphenyl)sulfonylpropoxy]benzamide; N-ethylethanamine Openeye Name: N-(4-acetamido-4-anilino-5-oxo-1-phenyl-pyrazol-3-yl)-4-[3-(3,4,5-trimethylphenyl)sulfonylpropoxy]benzamide; N-ethylethanamine CAS Name: N-(4-acetamido-4-anilino-5-oxo-1-phenyl-3-pyrazolyl)-4-[3-(3,4,5-trimethylphenyl)sulfonylpropoxy]benzamide; N-ethylethanamine IUPAC Name: N-(4-acetamido-4-anilino-5-oxo-1-phenylpyrazol-3-yl)-4-[3-(3,4,5-trimethylphenyl)sulfonylpropoxy]benzamide; N-ethylethanamine Traditional Name: N-(4-acetamido-4-anilino-5-keto-1-phenyl-2-pyrazolin-3-yl)-4-[3-(3,4,5-trimethylphenyl)sulfonylpropoxy]benzamide; diethylamine Formula: C40H48N6O6S MolecularWeight: 740.91072

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC.CC1=CC(=CC(=C1C)C)S(=O)(=O)CCCOC2=CC=C(C=C2)C(=O)NC3=NN(C(=O)C3(NC4=CC=CC=C4)NC(=O)C)C5=CC=CC=C5

Isomeric SMILES

CCNCC.CC1=CC(=CC(=C1C)C)S(=O)(=O)CCCOC2=CC=C(C=C2)C(=O)NC3=NN(C(=O)C3(NC4=CC=CC=C4)NC(=O)C)C5=CC=CC=C5

InChI

InChI=1S/C36H37N5O6S.C4H11N/c1-24-22-32(23-25(2)26(24)3)48(45,46)21-11-20-47-31-18-16-28(17-19-31)33(43)37-34-36(38-27(4)42,39-29-12-7-5-8-13-29)35(44)41(40-34)30-14-9-6-10-15-30;1-3-5-4-2/h5-10,12-19,22-23,39H,11,20-21H2,1-4H3,(H,38,42)(H,37,40,43);5H,3-4H2,1-2H3