N-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-N-(3-oxidanylpropyl)-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-N-(3-oxidanylpropyl)-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-(3-hydroxypropyl)-N-[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl]piazthiole-4-sulfonamide Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CCCO)S(=O)(=O)C3=CC=CC4=NSN=C43)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CCCO)S(=O)(=O)C3=CC=CC4=NSN=C43)C

InChI

InChI=1S/C21H22N4O4S2/c1-13-7-8-15-11-16(21(27)22-19(15)14(13)2)12-25(9-4-10-26)31(28,29)18-6-3-5-17-20(18)24-30-23-17/h3,5-8,11,26H,4,9-10,12H2,1-2H3,(H,22,27)