N-(8-methylquinolin-5-yl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(8-methylquinolin-5-yl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(8-methyl-5-quinolyl)-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(8-methyl-5-quinolinyl)-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(8-methylquinolin-5-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: 3-(3-ketopiperazino)sulfonyl-N-(8-methyl-5-quinolyl)benzamide Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4)C=CC=N2

Isomeric SMILES

CC1=C2C(=C(C=C1)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4)C=CC=N2

InChI

InChI=1S/C21H20N4O4S/c1-14-7-8-18(17-6-3-9-23-20(14)17)24-21(27)15-4-2-5-16(12-15)30(28,29)25-11-10-22-19(26)13-25/h2-9,12H,10-11,13H2,1H3,(H,22,26)(H,24,27)