7-chloranyl-2-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]quinazolin-4-olate

Systemtic Name: 7-chloranyl-2-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]quinazolin-4-olate Openeye Name: 7-chloro-2-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-olate CAS Name: 7-chloro-2-[[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]methyl]-4-quinazolinolate IUPAC Name: 7-chloro-2-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]quinazolin-4-olate Traditional Name: 7-chloro-2-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-olate Formula: C23H21ClN4O3S MolecularWeight: 468.95584

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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=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=C(C=CC(=C3)Cl)C(=N2)[O-])S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C23H21ClN4O3S/c24-18-6-8-20-21(14-18)25-22(26-23(20)29)15-27-9-11-28(12-10-27)32(30,31)19-7-5-16-3-1-2-4-17(16)13-19/h1-8,13-14H,9-12,15H2,(H,25,26,29)