(2S)-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(pyridin-3-ylmethyl)butanamide

Systemtic Name: (2S)-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(pyridin-3-ylmethyl)butanamide Openeye Name: (2S)-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(3-pyridylmethyl)butanamide CAS Name: (2S)-2-[(2-fluorophenyl)sulfonylamino]-4-(methylthio)-N-(3-pyridinylmethyl)butanamide IUPAC Name: (2S)-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(pyridin-3-ylmethyl)butanamide Traditional Name: (2S)-2-[(2-fluorophenyl)sulfonylamino]-4-(methylthio)-N-(3-pyridylmethyl)butyramide Formula: C17H20FN3O3S2 MolecularWeight: 397.487403

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CN=CC=C1)NS(=O)(=O)C2=CC=CC=C2F

Isomeric SMILES

CSCC[C@@H](C(=O)NCC1=CN=CC=C1)NS(=O)(=O)C2=CC=CC=C2F

InChI

InChI=1S/C17H20FN3O3S2/c1-25-10-8-15(17(22)20-12-13-5-4-9-19-11-13)21-26(23,24)16-7-3-2-6-14(16)18/h2-7,9,11,15,21H,8,10,12H2,1H3,(H,20,22)/t15-/m0/s1