5-(4-methylphenyl)sulfonyl-4-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-pyrimidine

Systemtic Name: 5-(4-methylphenyl)sulfonyl-4-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-pyrimidine Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-5-(p-tolylsulfonyl)pyrimidine CAS Name: 5-(4-methylphenyl)sulfonyl-4-(4-methyl-1-piperazin-4-iumyl)-2-phenylpyrimidine IUPAC Name: 5-(4-methylphenyl)sulfonyl-4-(4-methylpiperazin-4-ium-1-yl)-2-phenylpyrimidine Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-5-tosyl-pyrimidine Formula: C22H25N4O2S+ MolecularWeight: 409.5245

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(N=C2N3CC[NH+](CC3)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(N=C2N3CC[NH+](CC3)C)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4O2S/c1-17-8-10-19(11-9-17)29(27,28)20-16-23-21(18-6-4-3-5-7-18)24-22(20)26-14-12-25(2)13-15-26/h3-11,16H,12-15H2,1-2H3/p+1