N-(1,3-benzodioxol-5-ylmethyl)-N-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl]-5-methyl-N-piperonyl-piazthiole-4-sulfonamide Formula: C27H24N4O5S2 MolecularWeight: 548.63326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NSN=C2C=C1)S(=O)(=O)N(CC3=CC4=C(C=C3)OCO4)CC5=CC6=CC(=C(C=C6NC5=O)C)C

Isomeric SMILES

CC1=C(C2=NSN=C2C=C1)S(=O)(=O)N(CC3=CC4=C(C=C3)OCO4)CC5=CC6=CC(=C(C=C6NC5=O)C)C

InChI

InChI=1S/C27H24N4O5S2/c1-15-4-6-21-25(30-37-29-21)26(15)38(33,34)31(12-18-5-7-23-24(10-18)36-14-35-23)13-20-11-19-8-16(2)17(3)9-22(19)28-27(20)32/h4-11H,12-14H2,1-3H3,(H,28,32)