N-(4-acetamido-5-oxidanylidene-1-phenyl-4-phenylazanyl-pyrazol-3-yl)-4-[2-(4-methylphenyl)sulfonylbutoxy]benzamide; N-ethylethanamine

Systemtic Name: N-(4-acetamido-5-oxidanylidene-1-phenyl-4-phenylazanyl-pyrazol-3-yl)-4-[2-(4-methylphenyl)sulfonylbutoxy]benzamide; N-ethylethanamine Openeye Name: N-(4-acetamido-4-anilino-5-oxo-1-phenyl-pyrazol-3-yl)-4-[2-(p-tolylsulfonyl)butoxy]benzamide; N-ethylethanamine CAS Name: N-(4-acetamido-4-anilino-5-oxo-1-phenyl-3-pyrazolyl)-4-[2-(4-methylphenyl)sulfonylbutoxy]benzamide; N-ethylethanamine IUPAC Name: N-(4-acetamido-4-anilino-5-oxo-1-phenylpyrazol-3-yl)-4-[2-(4-methylphenyl)sulfonylbutoxy]benzamide; N-ethylethanamine Traditional Name: N-(4-acetamido-4-anilino-5-keto-1-phenyl-2-pyrazolin-3-yl)-4-(2-tosylbutoxy)benzamide; diethylamine Formula: C39H46N6O6S MolecularWeight: 726.88414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(COC1=CC=C(C=C1)C(=O)NC2=NN(C(=O)C2(NC3=CC=CC=C3)NC(=O)C)C4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)C.CCNCC

Isomeric SMILES

CCC(COC1=CC=C(C=C1)C(=O)NC2=NN(C(=O)C2(NC3=CC=CC=C3)NC(=O)C)C4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)C.CCNCC

InChI

InChI=1S/C35H35N5O6S.C4H11N/c1-4-30(47(44,45)31-21-15-24(2)16-22-31)23-46-29-19-17-26(18-20-29)32(42)36-33-35(37-25(3)41,38-27-11-7-5-8-12-27)34(43)40(39-33)28-13-9-6-10-14-28;1-3-5-4-2/h5-22,30,38H,4,23H2,1-3H3,(H,37,41)(H,36,39,42);5H,3-4H2,1-2H3