N-[[4-(ethoxymethyl)phenyl]methyl]-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide

Systemtic Name: N-[[4-(ethoxymethyl)phenyl]methyl]-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Openeye Name: N-[[4-(ethoxymethyl)phenyl]methyl]-4-methylsulfanyl-2-[[(E)-styryl]sulfonylamino]butanamide CAS Name: N-[[4-(ethoxymethyl)phenyl]methyl]-4-(methylthio)-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide IUPAC Name: N-[[4-(ethoxymethyl)phenyl]methyl]-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Traditional Name: N-[4-(ethoxymethyl)benzyl]-4-(methylthio)-2-[[(E)-styryl]sulfonylamino]butyramide Formula: C23H30N2O4S2 MolecularWeight: 462.6253

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=CC=C(C=C1)CNC(=O)C(CCSC)NS(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CCOCC1=CC=C(C=C1)CNC(=O)C(CCSC)NS(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C23H30N2O4S2/c1-3-29-18-21-11-9-20(10-12-21)17-24-23(26)22(13-15-30-2)25-31(27,28)16-14-19-7-5-4-6-8-19/h4-12,14,16,22,25H,3,13,15,17-18H2,1-2H3,(H,24,26)/b16-14+