(2S)-2-[(3-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)butanamide

Systemtic Name: (2S)-2-[(3-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)butanamide Openeye Name: (2S)-2-[(3-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(thiazol-4-ylmethyl)butanamide CAS Name: (2S)-2-[(3-fluorophenyl)sulfonylamino]-4-(methylthio)-N-(4-thiazolylmethyl)butanamide IUPAC Name: (2S)-2-[(3-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)butanamide Traditional Name: (2S)-2-[(3-fluorophenyl)sulfonylamino]-4-(methylthio)-N-(thiazol-4-ylmethyl)butyramide Formula: C15H18FN3O3S3 MolecularWeight: 403.515123

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CSC=N1)NS(=O)(=O)C2=CC=CC(=C2)F

Isomeric SMILES

CSCC[C@@H](C(=O)NCC1=CSC=N1)NS(=O)(=O)C2=CC=CC(=C2)F

InChI

InChI=1S/C15H18FN3O3S3/c1-23-6-5-14(15(20)17-8-12-9-24-10-18-12)19-25(21,22)13-4-2-3-11(16)7-13/h2-4,7,9-10,14,19H,5-6,8H2,1H3,(H,17,20)/t14-/m0/s1