N-[4-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanylphenyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[4-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanylphenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[4-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanylphenyl]-4-methyl-benzenesulfonamide CAS Name: N-[4-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]thio]phenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzenesulfonamide Traditional Name: N-[4-[[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]thio]phenyl]-4-methyl-benzenesulfonamide Formula: C23H23NO5S2 MolecularWeight: 457.56242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SCC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SCC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H23NO5S2/c1-16-4-11-20(12-5-16)31(26,27)24-18-7-9-19(10-8-18)30-15-21(25)17-6-13-22(28-2)23(14-17)29-3/h4-14,24H,15H2,1-3H3