N-[3-(dimethylaminomethyl)-4-(4-methylsulfanylphenoxy)phenyl]sulfonylethanamide

Systemtic Name: N-[3-(dimethylaminomethyl)-4-(4-methylsulfanylphenoxy)phenyl]sulfonylethanamide Openeye Name: N-[3-(dimethylaminomethyl)-4-(4-methylsulfanylphenoxy)phenyl]sulfonylacetamide CAS Name: N-[3-(dimethylaminomethyl)-4-[4-(methylthio)phenoxy]phenyl]sulfonylacetamide IUPAC Name: N-[3-(dimethylaminomethyl)-4-(4-methylsulfanylphenoxy)phenyl]sulfonylacetamide Traditional Name: N-[3-(dimethylaminomethyl)-4-[4-(methylthio)phenoxy]phenyl]sulfonylacetamide Formula: C18H22N2O4S2 MolecularWeight: 394.50828

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NS(=O)(=O)C1=CC(=C(C=C1)OC2=CC=C(C=C2)SC)CN(C)C

Isomeric SMILES

CC(=O)NS(=O)(=O)C1=CC(=C(C=C1)OC2=CC=C(C=C2)SC)CN(C)C

InChI

InChI=1S/C18H22N2O4S2/c1-13(21)19-26(22,23)17-9-10-18(14(11-17)12-20(2)3)24-15-5-7-16(25-4)8-6-15/h5-11H,12H2,1-4H3,(H,19,21)