tert-butyl N-[[4-(dimethylaminomethyl)-3-(3-methyl-4-methylsulfanyl-phenoxy)phenyl]methyl]-N-methylsulfonyl-carbamate

Systemtic Name: tert-butyl N-[[4-(dimethylaminomethyl)-3-(3-methyl-4-methylsulfanyl-phenoxy)phenyl]methyl]-N-methylsulfonyl-carbamate Openeye Name: tert-butyl N-[[4-(dimethylaminomethyl)-3-(3-methyl-4-methylsulfanyl-phenoxy)phenyl]methyl]-N-methylsulfonyl-carbamate CAS Name: N-[[4-(dimethylaminomethyl)-3-[3-methyl-4-(methylthio)phenoxy]phenyl]methyl]-N-methylsulfonylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-(dimethylaminomethyl)-3-(3-methyl-4-methylsulfanylphenoxy)phenyl]methyl]-N-methylsulfonylcarbamate Traditional Name: N-[4-(dimethylaminomethyl)-3-[3-methyl-4-(methylthio)phenoxy]benzyl]-N-mesyl-carbamic acid tert-butyl ester Formula: C24H34N2O5S2 MolecularWeight: 494.66716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34N2O5S2/c1-17-13-20(11-12-22(17)32-7)30-21-14-18(9-10-19(21)16-25(5)6)15-26(33(8,28)29)23(27)31-24(2,3)4/h9-14H,15-16H2,1-8H3