1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-(8-methylquinolin-5-yl)piperidine-3-carboxamide

Systemtic Name: 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-(8-methylquinolin-5-yl)piperidine-3-carboxamide Openeye Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(8-methyl-5-quinolyl)piperidine-3-carboxamide CAS Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(8-methyl-5-quinolinyl)-3-piperidinecarboxamide IUPAC Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(8-methylquinolin-5-yl)piperidine-3-carboxamide Traditional Name: 1-(1,1-diketo-1,2-benzothiazol-3-yl)-N-(8-methyl-5-quinolyl)nipecotamide Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)NC(=O)C3CCCN(C3)C4=NS(=O)(=O)C5=CC=CC=C54)C=CC=N2

Isomeric SMILES

CC1=C2C(=C(C=C1)NC(=O)C3CCCN(C3)C4=NS(=O)(=O)C5=CC=CC=C54)C=CC=N2

InChI

InChI=1S/C23H22N4O3S/c1-15-10-11-19(17-8-4-12-24-21(15)17)25-23(28)16-6-5-13-27(14-16)22-18-7-2-3-9-20(18)31(29,30)26-22/h2-4,7-12,16H,5-6,13-14H2,1H3,(H,25,28)