N3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N3-methyl-benzene-1,3-disulfonamide

Systemtic Name: N3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N3-methyl-benzene-1,3-disulfonamide Openeye Name: N3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N3-methyl-benzene-1,3-disulfonamide CAS Name: N3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N3-methylbenzene-1,3-disulfonamide IUPAC Name: 3-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-N-methylbenzene-1,3-disulfonamide Traditional Name: N'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N'-methyl-benzene-1,3-disulfonamide Formula: C16H18N2O6S2 MolecularWeight: 398.45392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCCO2)S(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCCO2)S(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N

InChI

InChI=1S/C16H18N2O6S2/c1-18(11-12-5-6-15-16(9-12)24-8-7-23-15)26(21,22)14-4-2-3-13(10-14)25(17,19)20/h2-6,9-10H,7-8,11H2,1H3,(H2,17,19,20)