7-chloranyl-2-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-olate

Systemtic Name: 7-chloranyl-2-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-olate Openeye Name: 2-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-7-chloro-quinazolin-4-olate CAS Name: 2-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-7-chloro-4-quinazolinolate IUPAC Name: 2-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-7-chloroquinazolin-4-olate Traditional Name: 2-[(4-besylpiperazin-1-ium-1-yl)methyl]-7-chloro-quinazolin-4-olate Formula: C19H19ClN4O3S MolecularWeight: 418.89716

Click to see the large picture

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN4O3S/c20-14-6-7-16-17(12-14)21-18(22-19(16)25)13-23-8-10-24(11-9-23)28(26,27)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,21,22,25)