N-(2-chloranyl-5-methylsulfonyl-phenyl)-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-chloranyl-5-methylsulfonyl-phenyl)-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-chloro-5-methylsulfonyl-phenyl)-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-chloro-5-methylsulfonylphenyl)-2-[[3-[3-(4-morpholin-4-iumyl)propyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-chloro-5-methylsulfonylphenyl)-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-chloro-5-mesyl-phenyl)-2-[[4-keto-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-2-yl]thio]acetamide Formula: C24H28ClN4O5S2+ MolecularWeight: 552.08592

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCOCC4

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCOCC4

InChI

InChI=1S/C24H27ClN4O5S2/c1-36(32,33)17-7-8-19(25)21(15-17)26-22(30)16-35-24-27-20-6-3-2-5-18(20)23(31)29(24)10-4-9-28-11-13-34-14-12-28/h2-3,5-8,15H,4,9-14,16H2,1H3,(H,26,30)/p+1