6-chloranyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 6-chloranyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 6-chloro-2-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 6-chloro-2-[(4-tosylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Formula: C20H22ClN4O3S+ MolecularWeight: 433.93168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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