2,3-bis(oxidanyl)butanedioic acid; 3-(dimethylaminomethyl)-4-(4-methylsulfanylphenoxy)benzenesulfonamide

Systemtic Name: 2,3-bis(oxidanyl)butanedioic acid; 3-(dimethylaminomethyl)-4-(4-methylsulfanylphenoxy)benzenesulfonamide Openeye Name: 2,3-dihydroxybutanedioic acid; 3-(dimethylaminomethyl)-4-(4-methylsulfanylphenoxy)benzenesulfonamide CAS Name: 2,3-dihydroxybutanedioic acid; 3-(dimethylaminomethyl)-4-[4-(methylthio)phenoxy]benzenesulfonamide IUPAC Name: 2,3-dihydroxybutanedioic acid; 3-(dimethylaminomethyl)-4-(4-methylsulfanylphenoxy)benzenesulfonamide Traditional Name: 3-(dimethylaminomethyl)-4-[4-(methylthio)phenoxy]benzenesulfonamide; tartaric acid Formula: C20H26N2O9S2 MolecularWeight: 502.55844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O3S2.C4H6O6/c1-18(2)11-12-10-15(23(17,19)20)8-9-16(12)21-13-4-6-14(22-3)7-5-13;5-1(3(7)8)2(6)4(9)10/h4-10H,11H2,1-3H3,(H2,17,19,20);1-2,5-6H,(H,7,8)(H,9,10)