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

Systemtic Name: (3R,4S)-3-(4-tert-butylphenyl)sulfonyl-4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)thiolane 1,1-dioxide Openeye Name: (3R,4S)-3-(4-tert-butylphenyl)sulfonyl-4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)thiolane 1,1-dioxide CAS Name: (3R,4S)-3-(4-tert-butylphenyl)sulfonyl-4-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]thiolane 1,1-dioxide IUPAC Name: (3R,4S)-3-(4-tert-butylphenyl)sulfonyl-4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)thiolane 1,1-dioxide Traditional Name: (3R,4S)-3-(4-tert-butylphenyl)sulfonyl-4-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]sulfolane Formula: C22H31N4O4S2+ MolecularWeight: 479.63594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C1=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/C22H30N4O4S2/c1-22(2,3)17-5-7-18(8-6-17)32(29,30)20-16-31(27,28)15-19(20)25-11-13-26(14-12-25)21-23-9-4-10-24-21/h4-10,19-20H,11-16H2,1-3H3/p+1/t19-,20-/m0/s1