7-chloranyl-2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]quinazolin-4-olate

Systemtic Name: 7-chloranyl-2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]quinazolin-4-olate Openeye Name: 7-chloro-2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]quinazolin-4-olate CAS Name: 7-chloro-2-[[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-4-quinazolinolate IUPAC Name: 7-chloro-2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]quinazolin-4-olate Traditional Name: 7-chloro-2-[(4-mesitylsulfonylpiperazin-1-ium-1-yl)methyl]quinazolin-4-olate Formula: C22H25ClN4O3S MolecularWeight: 460.9769

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN4O3S/c1-14-10-15(2)21(16(3)11-14)31(29,30)27-8-6-26(7-9-27)13-20-24-19-12-17(23)4-5-18(19)22(28)25-20/h4-5,10-12H,6-9,13H2,1-3H3,(H,24,25,28)