(2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-4-methylsulfanyl-N-pyridin-2-yl-butanamide

Systemtic Name: (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-4-methylsulfanyl-N-pyridin-2-yl-butanamide Openeye Name: (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-4-methylsulfanyl-N-(2-pyridyl)butanamide CAS Name: (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-4-(methylthio)-N-(2-pyridinyl)butanamide IUPAC Name: (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-4-methylsulfanyl-N-pyridin-2-ylbutanamide Traditional Name: (2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-4-(methylthio)-N-(2-pyridyl)butyramide Formula: C18H23N3O3S2 MolecularWeight: 393.52352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NC(CCSC)C(=O)NC2=CC=CC=N2

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N[C@@H](CCSC)C(=O)NC2=CC=CC=N2

InChI

InChI=1S/C18H23N3O3S2/c1-13-7-8-14(2)16(12-13)26(23,24)21-15(9-11-25-3)18(22)20-17-6-4-5-10-19-17/h4-8,10,12,15,21H,9,11H2,1-3H3,(H,19,20,22)/t15-/m0/s1