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

Systemtic Name: 7-chloranyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]quinazolin-4-olate Openeye Name: 7-chloro-2-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-olate CAS Name: 7-chloro-2-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-4-quinazolinolate IUPAC Name: 7-chloro-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]quinazolin-4-olate Traditional Name: 7-chloro-2-[(4-tosylpiperazin-1-ium-1-yl)methyl]quinazolin-4-olate Formula: C20H21ClN4O3S MolecularWeight: 432.92374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC4=C(C=CC(=C4)Cl)C(=N3)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC4=C(C=CC(=C4)Cl)C(=N3)[O-]

InChI

InChI=1S/C20H21ClN4O3S/c1-14-2-5-16(6-3-14)29(27,28)25-10-8-24(9-11-25)13-19-22-18-12-15(21)4-7-17(18)20(26)23-19/h2-7,12H,8-11,13H2,1H3,(H,22,23,26)