2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-chloranyl-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-chloranyl-1H-quinazolin-4-one Openeye Name: 2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-chloro-1H-quinazolin-4-one CAS Name: 2-[[4-(4-tert-butylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-7-chloro-1H-quinazolin-4-one IUPAC Name: 2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-chloro-1H-quinazolin-4-one Traditional Name: 2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-chloro-1H-quinazolin-4-one Formula: C23H28ClN4O3S+ MolecularWeight: 476.01142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN4O3S/c1-23(2,3)16-4-7-18(8-5-16)32(30,31)28-12-10-27(11-13-28)15-21-25-20-14-17(24)6-9-19(20)22(29)26-21/h4-9,14H,10-13,15H2,1-3H3,(H,25,26,29)/p+1