2-[[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-(trifluoromethyl)quinazolin-4-olate

Systemtic Name: 2-[[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-(trifluoromethyl)quinazolin-4-olate Openeye Name: 2-[[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]methyl]-7-(trifluoromethyl)quinazolin-4-olate CAS Name: 2-[[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]methyl]-7-(trifluoromethyl)-4-quinazolinolate IUPAC Name: 2-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-(trifluoromethyl)quinazolin-4-olate Traditional Name: 2-[[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]methyl]-7-(trifluoromethyl)quinazolin-4-olate Formula: C18H16ClF3N4O3S2 MolecularWeight: 492.92285

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=C(C=CC(=C3)C(F)(F)F)C(=N2)[O-])S(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=C(C=CC(=C3)C(F)(F)F)C(=N2)[O-])S(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C18H16ClF3N4O3S2/c19-14-3-4-16(30-14)31(28,29)26-7-5-25(6-8-26)10-15-23-13-9-11(18(20,21)22)1-2-12(13)17(27)24-15/h1-4,9H,5-8,10H2,(H,23,24,27)