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

Systemtic Name: N-[[2-(dimethylaminomethyl)phenyl]methyl]-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Openeye Name: N-[[2-(dimethylaminomethyl)phenyl]methyl]-4-methylsulfanyl-2-[[(E)-styryl]sulfonylamino]butanamide CAS Name: N-[[2-(dimethylaminomethyl)phenyl]methyl]-4-(methylthio)-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide IUPAC Name: N-[[2-(dimethylaminomethyl)phenyl]methyl]-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Traditional Name: N-[2-(dimethylaminomethyl)benzyl]-4-(methylthio)-2-[[(E)-styryl]sulfonylamino]butyramide Formula: C23H31N3O3S2 MolecularWeight: 461.64054

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=CC=C1CNC(=O)C(CCSC)NS(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CN(C)CC1=CC=CC=C1CNC(=O)C(CCSC)NS(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C23H31N3O3S2/c1-26(2)18-21-12-8-7-11-20(21)17-24-23(27)22(13-15-30-3)25-31(28,29)16-14-19-9-5-4-6-10-19/h4-12,14,16,22,25H,13,15,17-18H2,1-3H3,(H,24,27)/b16-14+