(3R,4R)-3-(4-ethylphenyl)sulfonyl-4-(4-phenylpiperazin-1-ium-1-yl)thiolane 1,1-dioxide

Systemtic Name: (3R,4R)-3-(4-ethylphenyl)sulfonyl-4-(4-phenylpiperazin-1-ium-1-yl)thiolane 1,1-dioxide Openeye Name: (3R,4R)-3-(4-ethylphenyl)sulfonyl-4-(4-phenylpiperazin-1-ium-1-yl)thiolane 1,1-dioxide CAS Name: (3R,4R)-3-(4-ethylphenyl)sulfonyl-4-(4-phenyl-1-piperazin-1-iumyl)thiolane 1,1-dioxide IUPAC Name: (3R,4R)-3-(4-ethylphenyl)sulfonyl-4-(4-phenylpiperazin-1-ium-1-yl)thiolane 1,1-dioxide Traditional Name: (3R,4R)-3-(4-ethylphenyl)sulfonyl-4-(4-phenylpiperazin-1-ium-1-yl)sulfolane Formula: C22H29N2O4S2+ MolecularWeight: 449.60666

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=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S2/c1-2-18-8-10-20(11-9-18)30(27,28)22-17-29(25,26)16-21(22)24-14-12-23(13-15-24)19-6-4-3-5-7-19/h3-11,21-22H,2,12-17H2,1H3/p+1/t21-,22+/m1/s1