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

Systemtic Name: 3-[[3-(dimethylamino)propyl-methyl-amino]methyl]-4-(3-methyl-4-methylsulfanyl-phenoxy)benzenesulfonamide Openeye Name: 3-[[3-(dimethylamino)propyl-methyl-amino]methyl]-4-(3-methyl-4-methylsulfanyl-phenoxy)benzenesulfonamide CAS Name: 3-[[3-(dimethylamino)propyl-methylamino]methyl]-4-[3-methyl-4-(methylthio)phenoxy]benzenesulfonamide IUPAC Name: 3-[[3-(dimethylamino)propyl-methylamino]methyl]-4-(3-methyl-4-methylsulfanylphenoxy)benzenesulfonamide Traditional Name: 3-[[3-(dimethylamino)propyl-methyl-amino]methyl]-4-[3-methyl-4-(methylthio)phenoxy]benzenesulfonamide Formula: C21H31N3O3S2 MolecularWeight: 437.61914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O3S2/c1-16-13-18(7-10-21(16)28-5)27-20-9-8-19(29(22,25)26)14-17(20)15-24(4)12-6-11-23(2)3/h7-10,13-14H,6,11-12,15H2,1-5H3,(H2,22,25,26)