(3R,4S)-3-(2-methoxy-5-methyl-phenyl)sulfonyl-4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)thiolane 1,1-dioxide

Systemtic Name: (3R,4S)-3-(2-methoxy-5-methyl-phenyl)sulfonyl-4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)thiolane 1,1-dioxide Openeye Name: (3R,4S)-3-(2-methoxy-5-methyl-phenyl)sulfonyl-4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)thiolane 1,1-dioxide CAS Name: (3R,4S)-3-(2-methoxy-5-methylphenyl)sulfonyl-4-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]thiolane 1,1-dioxide IUPAC Name: (3R,4S)-3-(2-methoxy-5-methylphenyl)sulfonyl-4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)thiolane 1,1-dioxide Traditional Name: (3R,4S)-3-(2-methoxy-5-methyl-phenyl)sulfonyl-4-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]sulfolane Formula: C20H27N4O5S2+ MolecularWeight: 467.58218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)S(=O)(=O)C2CS(=O)(=O)CC2[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H26N4O5S2/c1-15-4-5-17(29-2)18(12-15)31(27,28)19-14-30(25,26)13-16(19)23-8-10-24(11-9-23)20-21-6-3-7-22-20/h3-7,12,16,19H,8-11,13-14H2,1-2H3/p+1/t16-,19-/m0/s1