(2S)-2-[(3-chloranyl-4-fluoranyl-phenyl)sulfonylamino]-4-methylsulfanyl-N-pyridin-4-yl-butanamide

Systemtic Name: (2S)-2-[(3-chloranyl-4-fluoranyl-phenyl)sulfonylamino]-4-methylsulfanyl-N-pyridin-4-yl-butanamide Openeye Name: (2S)-2-[(3-chloro-4-fluoro-phenyl)sulfonylamino]-4-methylsulfanyl-N-(4-pyridyl)butanamide CAS Name: (2S)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-4-(methylthio)-N-pyridin-4-ylbutanamide IUPAC Name: (2S)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-pyridin-4-ylbutanamide Traditional Name: (2S)-2-[(3-chloro-4-fluoro-phenyl)sulfonylamino]-4-(methylthio)-N-(4-pyridyl)butyramide Formula: C16H17ClFN3O3S2 MolecularWeight: 417.905883

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC=NC=C1)NS(=O)(=O)C2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CSCC[C@@H](C(=O)NC1=CC=NC=C1)NS(=O)(=O)C2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C16H17ClFN3O3S2/c1-25-9-6-15(16(22)20-11-4-7-19-8-5-11)21-26(23,24)12-2-3-14(18)13(17)10-12/h2-5,7-8,10,15,21H,6,9H2,1H3,(H,19,20,22)/t15-/m0/s1