N-(1,3-benzodioxol-5-ylmethyl)-N-[(7,8-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-[(7,8-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-[(7,8-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-[(7,8-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-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[(2-keto-7,8-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=C(C=C1)C=C(C(=O)N2)CN(CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=C(C=CC6=NSN=C65)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=C(C=CC6=NSN=C65)C)C

InChI

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