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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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