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

Systemtic Name: 2-[[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-chloranyl-quinazolin-4-olate Openeye Name: 2-[[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-chloro-quinazolin-4-olate CAS Name: 2-[[4-(4-bromophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-7-chloro-4-quinazolinolate IUPAC Name: 2-[[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-chloroquinazolin-4-olate Traditional Name: 2-[(4-brosylpiperazin-1-ium-1-yl)methyl]-7-chloro-quinazolin-4-olate Formula: C19H18BrClN4O3S MolecularWeight: 497.79322

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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=C(C=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrClN4O3S/c20-13-1-4-15(5-2-13)29(27,28)25-9-7-24(8-10-25)12-18-22-17-11-14(21)3-6-16(17)19(26)23-18/h1-6,11H,7-10,12H2,(H,22,23,26)