4-methylsulfanyl-N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide

Systemtic Name: 4-methylsulfanyl-N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Openeye Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4-methylsulfanyl-2-[[(E)-styryl]sulfonylamino]butanamide CAS Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4-(methylthio)-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide IUPAC Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Traditional Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4-(methylthio)-2-[[(E)-styryl]sulfonylamino]butyramide Formula: C21H25N3O6S2 MolecularWeight: 479.5697

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC(C1=CC=C(C=C1)[N+](=O)[O-])O)NS(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)NCC(C1=CC=C(C=C1)[N+](=O)[O-])O)NS(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H25N3O6S2/c1-31-13-11-19(23-32(29,30)14-12-16-5-3-2-4-6-16)21(26)22-15-20(25)17-7-9-18(10-8-17)24(27)28/h2-10,12,14,19-20,23,25H,11,13,15H2,1H3,(H,22,26)/b14-12+