2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[(2-pyrazol-1-ylpyridin-3-yl)methyl]butanamide

Systemtic Name: 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[(2-pyrazol-1-ylpyridin-3-yl)methyl]butanamide Openeye Name: 4-methylsulfanyl-2-(p-tolylsulfonylamino)-N-[(2-pyrazol-1-yl-3-pyridyl)methyl]butanamide CAS Name: 2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)-N-[[2-(1-pyrazolyl)-3-pyridinyl]methyl]butanamide IUPAC Name: 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[(2-pyrazol-1-ylpyridin-3-yl)methyl]butanamide Traditional Name: 4-(methylthio)-N-[(2-pyrazol-1-yl-3-pyridyl)methyl]-2-(tosylamino)butyramide Formula: C21H25N5O3S2 MolecularWeight: 459.5849

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NCC2=C(N=CC=C2)N3C=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NCC2=C(N=CC=C2)N3C=CC=N3

InChI

InChI=1S/C21H25N5O3S2/c1-16-6-8-18(9-7-16)31(28,29)25-19(10-14-30-2)21(27)23-15-17-5-3-11-22-20(17)26-13-4-12-24-26/h3-9,11-13,19,25H,10,14-15H2,1-2H3,(H,23,27)