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

Systemtic Name: N-(4-acetamido-5-oxidanylidene-1-phenyl-4-phenylazanyl-pyrazol-3-yl)-3-[3-(4-methylphenyl)sulfonylpropoxy]benzamide Openeye Name: N-(4-acetamido-4-anilino-5-oxo-1-phenyl-pyrazol-3-yl)-3-[3-(p-tolylsulfonyl)propoxy]benzamide CAS Name: N-(4-acetamido-4-anilino-5-oxo-1-phenyl-3-pyrazolyl)-3-[3-(4-methylphenyl)sulfonylpropoxy]benzamide IUPAC Name: N-(4-acetamido-4-anilino-5-oxo-1-phenylpyrazol-3-yl)-3-[3-(4-methylphenyl)sulfonylpropoxy]benzamide Traditional Name: N-(4-acetamido-4-anilino-5-keto-1-phenyl-2-pyrazolin-3-yl)-3-(3-tosylpropoxy)benzamide Formula: C34H33N5O6S MolecularWeight: 639.72072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCCOC2=CC=CC(=C2)C(=O)NC3=NN(C(=O)C3(NC4=CC=CC=C4)NC(=O)C)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCOC2=CC=CC(=C2)C(=O)NC3=NN(C(=O)C3(NC4=CC=CC=C4)NC(=O)C)C5=CC=CC=C5

InChI

InChI=1S/C34H33N5O6S/c1-24-17-19-30(20-18-24)46(43,44)22-10-21-45-29-16-9-11-26(23-29)31(41)35-32-34(36-25(2)40,37-27-12-5-3-6-13-27)33(42)39(38-32)28-14-7-4-8-15-28/h3-9,11-20,23,37H,10,21-22H2,1-2H3,(H,36,40)(H,35,38,41)