7-chloranyl-2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]quinazolin-4-olate

Systemtic Name: 7-chloranyl-2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]quinazolin-4-olate Openeye Name: 7-chloro-2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]quinazolin-4-olate CAS Name: 7-chloro-2-[[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-4-quinazolinolate IUPAC Name: 7-chloro-2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]quinazolin-4-olate Traditional Name: 7-chloro-2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]quinazolin-4-olate Formula: C19H18ClFN4O3S MolecularWeight: 436.887623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=C(C=CC(=C3)Cl)C(=N2)[O-])S(=O)(=O)C4=CC=CC(=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=C(C=CC(=C3)Cl)C(=N2)[O-])S(=O)(=O)C4=CC=CC(=C4)F

InChI

InChI=1S/C19H18ClFN4O3S/c20-13-4-5-16-17(10-13)22-18(23-19(16)26)12-24-6-8-25(9-7-24)29(27,28)15-3-1-2-14(21)11-15/h1-5,10-11H,6-9,12H2,(H,22,23,26)