3-[[3-(dimethylamino)propylamino]methyl]-4-(3-methyl-4-methylsulfanyl-phenoxy)benzenesulfonamide

Systemtic Name: 3-[[3-(dimethylamino)propylamino]methyl]-4-(3-methyl-4-methylsulfanyl-phenoxy)benzenesulfonamide Openeye Name: 3-[[3-(dimethylamino)propylamino]methyl]-4-(3-methyl-4-methylsulfanyl-phenoxy)benzenesulfonamide CAS Name: 3-[[3-(dimethylamino)propylamino]methyl]-4-[3-methyl-4-(methylthio)phenoxy]benzenesulfonamide IUPAC Name: 3-[[3-(dimethylamino)propylamino]methyl]-4-(3-methyl-4-methylsulfanylphenoxy)benzenesulfonamide Traditional Name: 3-[[3-(dimethylamino)propylamino]methyl]-4-[3-methyl-4-(methylthio)phenoxy]benzenesulfonamide Formula: C20H29N3O3S2 MolecularWeight: 423.59256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)N)CNCCCN(C)C)SC

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)N)CNCCCN(C)C)SC

InChI

InChI=1S/C20H29N3O3S2/c1-15-12-17(6-9-20(15)27-4)26-19-8-7-18(28(21,24)25)13-16(19)14-22-10-5-11-23(2)3/h6-9,12-13,22H,5,10-11,14H2,1-4H3,(H2,21,24,25)