(2S)-N-(4-tert-butylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-butanamide

Systemtic Name: (2S)-N-(4-tert-butylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-butanamide Openeye Name: (2S)-N-(4-tert-butylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-butanamide CAS Name: (2S)-N-(4-tert-butylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-4-(methylthio)butanamide IUPAC Name: (2S)-N-(4-tert-butylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide Traditional Name: (2S)-N-(4-tert-butylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-4-(methylthio)butyramide Formula: C21H27FN2O3S2 MolecularWeight: 438.579083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)C(CCSC)NS(=O)(=O)C2=CC=CC=C2F

Isomeric SMILES

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

InChI

InChI=1S/C21H27FN2O3S2/c1-21(2,3)15-9-11-16(12-10-15)23-20(25)18(13-14-28-4)24-29(26,27)19-8-6-5-7-17(19)22/h5-12,18,24H,13-14H2,1-4H3,(H,23,25)/t18-/m0/s1