N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl]-N-piperonyl-piazthiole-4-sulfonamide Formula: C25H20N4O5S2 MolecularWeight: 520.5801

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC6=NSN=C65

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC6=NSN=C65

InChI

InChI=1S/C25H20N4O5S2/c1-15-5-7-17-11-18(25(30)26-20(17)9-15)13-29(12-16-6-8-21-22(10-16)34-14-33-21)36(31,32)23-4-2-3-19-24(23)28-35-27-19/h2-11H,12-14H2,1H3,(H,26,30)