N-cyclopentyl-N-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-cyclopentyl-N-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-cyclopentyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-cyclopentyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-cyclopentyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-cyclopentyl-N-[(2-keto-6-methoxy-1H-quinolin-3-yl)methyl]piazthiole-4-sulfonamide Formula: C22H22N4O4S2 MolecularWeight: 470.56448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCC3)S(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCC3)S(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C22H22N4O4S2/c1-30-17-9-10-18-14(12-17)11-15(22(27)23-18)13-26(16-5-2-3-6-16)32(28,29)20-8-4-7-19-21(20)25-31-24-19/h4,7-12,16H,2-3,5-6,13H2,1H3,(H,23,27)