2-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-quinolin-5-yl-benzamide

Systemtic Name: 2-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-quinolin-5-yl-benzamide Openeye Name: 2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-(5-quinolyl)benzamide CAS Name: 2-chloro-5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-N-(5-quinolinyl)benzamide IUPAC Name: 2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-quinolin-5-ylbenzamide Traditional Name: 2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-(5-quinolyl)benzamide Formula: C22H24ClN4O3S+ MolecularWeight: 459.96896

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=CC4=C3C=CC=N4

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=CC4=C3C=CC=N4

InChI

InChI=1S/C22H23ClN4O3S/c1-2-26-11-13-27(14-12-26)31(29,30)16-8-9-19(23)18(15-16)22(28)25-21-7-3-6-20-17(21)5-4-10-24-20/h3-10,15H,2,11-14H2,1H3,(H,25,28)/p+1