N-(4-bromophenyl)-3-(dimethylaminomethyl)-4-(3-methyl-4-methylsulfanyl-phenoxy)benzenesulfonamide

Systemtic Name: N-(4-bromophenyl)-3-(dimethylaminomethyl)-4-(3-methyl-4-methylsulfanyl-phenoxy)benzenesulfonamide Openeye Name: N-(4-bromophenyl)-3-(dimethylaminomethyl)-4-(3-methyl-4-methylsulfanyl-phenoxy)benzenesulfonamide CAS Name: N-(4-bromophenyl)-3-(dimethylaminomethyl)-4-[3-methyl-4-(methylthio)phenoxy]benzenesulfonamide IUPAC Name: N-(4-bromophenyl)-3-(dimethylaminomethyl)-4-(3-methyl-4-methylsulfanylphenoxy)benzenesulfonamide Traditional Name: N-(4-bromophenyl)-3-(dimethylaminomethyl)-4-[3-methyl-4-(methylthio)phenoxy]benzenesulfonamide Formula: C23H25BrN2O3S2 MolecularWeight: 521.4902

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)NC3=CC=C(C=C3)Br)CN(C)C)SC

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)Br)CN(C)C)SC

InChI

InChI=1S/C23H25BrN2O3S2/c1-16-13-20(9-12-23(16)30-4)29-22-11-10-21(14-17(22)15-26(2)3)31(27,28)25-19-7-5-18(24)6-8-19/h5-14,25H,15H2,1-4H3