N-(6-chloranylquinolin-4-yl)-3-(4-ethanoylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(6-chloranylquinolin-4-yl)-3-(4-ethanoylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(6-chloro-4-quinolyl)benzamide CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]-N-(6-chloro-4-quinolinyl)benzamide IUPAC Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(6-chloroquinolin-4-yl)benzamide Traditional Name: 3-(4-acetylpiperazino)sulfonyl-N-(6-chloro-4-quinolyl)benzamide Formula: C22H21ClN4O4S MolecularWeight: 472.94454

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C4C=C(C=CC4=NC=C3)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C4C=C(C=CC4=NC=C3)Cl

InChI

InChI=1S/C22H21ClN4O4S/c1-15(28)26-9-11-27(12-10-26)32(30,31)18-4-2-3-16(13-18)22(29)25-21-7-8-24-20-6-5-17(23)14-19(20)21/h2-8,13-14H,9-12H2,1H3,(H,24,25,29)