(2S)-N-(3-fluoranyl-4-methyl-phenyl)-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide

Systemtic Name: (2S)-N-(3-fluoranyl-4-methyl-phenyl)-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Openeye Name: (2S)-N-(3-fluoro-4-methyl-phenyl)-4-methylsulfanyl-2-[[(E)-styryl]sulfonylamino]butanamide CAS Name: (2S)-N-(3-fluoro-4-methylphenyl)-4-(methylthio)-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide IUPAC Name: (2S)-N-(3-fluoro-4-methylphenyl)-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Traditional Name: (2S)-N-(3-fluoro-4-methyl-phenyl)-4-(methylthio)-2-[[(E)-styryl]sulfonylamino]butyramide Formula: C20H23FN2O3S2 MolecularWeight: 422.536623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(CCSC)NS(=O)(=O)C=CC2=CC=CC=C2)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](CCSC)NS(=O)(=O)/C=C/C2=CC=CC=C2)F

InChI

InChI=1S/C20H23FN2O3S2/c1-15-8-9-17(14-18(15)21)22-20(24)19(10-12-27-2)23-28(25,26)13-11-16-6-4-3-5-7-16/h3-9,11,13-14,19,23H,10,12H2,1-2H3,(H,22,24)/b13-11+/t19-/m0/s1