N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-oxidanylidene-1H-quinoline-4-carboxamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-oxidanylidene-1H-quinoline-4-carboxamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide Traditional Name: 2-keto-N-(6-mesyl-1,3-benzothiazol-2-yl)-1H-quinoline-4-carboxamide Formula: C18H13N3O4S2 MolecularWeight: 399.44352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=O)NC4=CC=CC=C43

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=O)NC4=CC=CC=C43

InChI

InChI=1S/C18H13N3O4S2/c1-27(24,25)10-6-7-14-15(8-10)26-18(20-14)21-17(23)12-9-16(22)19-13-5-3-2-4-11(12)13/h2-9H,1H3,(H,19,22)(H,20,21,23)