(3R,4S)-3-(4-ethylphenyl)sulfonyl-4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)thiolane 1,1-dioxide

Systemtic Name: (3R,4S)-3-(4-ethylphenyl)sulfonyl-4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)thiolane 1,1-dioxide Openeye Name: (3R,4S)-3-(4-ethylphenyl)sulfonyl-4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)thiolane 1,1-dioxide CAS Name: (3R,4S)-3-(4-ethylphenyl)sulfonyl-4-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]thiolane 1,1-dioxide IUPAC Name: (3R,4S)-3-(4-ethylphenyl)sulfonyl-4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)thiolane 1,1-dioxide Traditional Name: (3R,4S)-3-(4-ethylphenyl)sulfonyl-4-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]sulfolane Formula: C20H27N4O4S2+ MolecularWeight: 451.58278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)C2CS(=O)(=O)CC2[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H26N4O4S2/c1-2-16-4-6-17(7-5-16)30(27,28)19-15-29(25,26)14-18(19)23-10-12-24(13-11-23)20-21-8-3-9-22-20/h3-9,18-19H,2,10-15H2,1H3/p+1/t18-,19-/m0/s1