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

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-5-(phenylsulfonyl)pyrimidine Openeye Name: 5-(benzenesulfonyl)-4-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-pyrimidine CAS Name: 5-(benzenesulfonyl)-4-(4-methyl-1-piperazin-4-iumyl)-2-phenylpyrimidine IUPAC Name: 5-(benzenesulfonyl)-4-(4-methylpiperazin-4-ium-1-yl)-2-phenylpyrimidine Traditional Name: 5-besyl-4-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-pyrimidine Formula: C21H23N4O2S+ MolecularWeight: 395.49792

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC(=NC=C2S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC(=NC=C2S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O2S/c1-24-12-14-25(15-13-24)21-19(28(26,27)18-10-6-3-7-11-18)16-22-20(23-21)17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3/p+1