N-(1,3-benzodioxol-5-ylmethyl)-N-[(6-ethyl-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-ethyl-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-ethyl-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-ethyl-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-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[(6-ethyl-2-keto-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:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=C(C=CC6=NSN=C65)C

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=C(C=CC6=NSN=C65)C

InChI

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