[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-methylsulfanyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-methylsulfanyl-2-(phenylsulfonylamino)butanoate Openeye Name: [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl] 2-(benzenesulfonamido)-4-methylsulfanyl-butanoate CAS Name: 2-(benzenesulfonamido)-4-(methylthio)butanoic acid [2-[(5-tert-butyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-tert-butyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 2-(benzenesulfonamido)-4-methylsulfanylbutanoate Traditional Name: 2-(benzenesulfonamido)-4-(methylthio)butyric acid [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C26H32N4O5S2 MolecularWeight: 544.68608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)COC(=O)C(CCSC)NS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)COC(=O)C(CCSC)NS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H32N4O5S2/c1-26(2,3)22-17-23(30(28-22)19-11-7-5-8-12-19)27-24(31)18-35-25(32)21(15-16-36-4)29-37(33,34)20-13-9-6-10-14-20/h5-14,17,21,29H,15-16,18H2,1-4H3,(H,27,31)