(2S)-2-[(4-methylphenyl)sulfonylamino]-N-(5-methylpyridin-2-yl)-4-methylsulfanyl-butanamide

Systemtic Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-N-(5-methylpyridin-2-yl)-4-methylsulfanyl-butanamide Openeye Name: (2S)-N-(5-methyl-2-pyridyl)-4-methylsulfanyl-2-(p-tolylsulfonylamino)butanamide CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-N-(5-methyl-2-pyridinyl)-4-(methylthio)butanamide IUPAC Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-N-(5-methylpyridin-2-yl)-4-methylsulfanylbutanamide Traditional Name: (2S)-N-(5-methyl-2-pyridyl)-4-(methylthio)-2-(tosylamino)butyramide Formula: C18H23N3O3S2 MolecularWeight: 393.52352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NC2=NC=C(C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCSC)C(=O)NC2=NC=C(C=C2)C

InChI

InChI=1S/C18H23N3O3S2/c1-13-4-7-15(8-5-13)26(23,24)21-16(10-11-25-3)18(22)20-17-9-6-14(2)12-19-17/h4-9,12,16,21H,10-11H2,1-3H3,(H,19,20,22)/t16-/m0/s1