N3-[2-(3,5-dimethylphenoxy)ethyl]-N3-methyl-benzene-1,3-disulfonamide

Systemtic Name: N3-[2-(3,5-dimethylphenoxy)ethyl]-N3-methyl-benzene-1,3-disulfonamide Openeye Name: N3-[2-(3,5-dimethylphenoxy)ethyl]-N3-methyl-benzene-1,3-disulfonamide CAS Name: N3-[2-(3,5-dimethylphenoxy)ethyl]-N3-methylbenzene-1,3-disulfonamide IUPAC Name: 3-N-[2-(3,5-dimethylphenoxy)ethyl]-3-N-methylbenzene-1,3-disulfonamide Traditional Name: N'-[2-(3,5-dimethylphenoxy)ethyl]-N'-methyl-benzene-1,3-disulfonamide Formula: C17H22N2O5S2 MolecularWeight: 398.49698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCN(C)S(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCN(C)S(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)N)C

InChI

InChI=1S/C17H22N2O5S2/c1-13-9-14(2)11-15(10-13)24-8-7-19(3)26(22,23)17-6-4-5-16(12-17)25(18,20)21/h4-6,9-12H,7-8H2,1-3H3,(H2,18,20,21)