(3S,4R)-3-(4-ethylpiperazin-4-ium-1-yl)-4-(4-methoxy-3-methyl-phenyl)sulfonyl-thiolane 1,1-dioxide

Systemtic Name: (3S,4R)-3-(4-ethylpiperazin-4-ium-1-yl)-4-(4-methoxy-3-methyl-phenyl)sulfonyl-thiolane 1,1-dioxide Openeye Name: (3S,4R)-3-(4-ethylpiperazin-4-ium-1-yl)-4-(4-methoxy-3-methyl-phenyl)sulfonyl-thiolane 1,1-dioxide CAS Name: (3S,4R)-3-(4-ethyl-1-piperazin-4-iumyl)-4-(4-methoxy-3-methylphenyl)sulfonylthiolane 1,1-dioxide IUPAC Name: (3S,4R)-3-(4-ethylpiperazin-4-ium-1-yl)-4-(4-methoxy-3-methylphenyl)sulfonylthiolane 1,1-dioxide Traditional Name: (3S,4R)-3-(4-ethylpiperazin-4-ium-1-yl)-4-(4-methoxy-3-methyl-phenyl)sulfonyl-sulfolane Formula: C18H29N2O5S2+ MolecularWeight: 417.56326

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2CS(=O)(=O)CC2S(=O)(=O)C3=CC(=C(C=C3)OC)C

Isomeric SMILES

CC[NH+]1CCN(CC1)[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)C3=CC(=C(C=C3)OC)C

InChI

InChI=1S/C18H28N2O5S2/c1-4-19-7-9-20(10-8-19)16-12-26(21,22)13-18(16)27(23,24)15-5-6-17(25-3)14(2)11-15/h5-6,11,16,18H,4,7-10,12-13H2,1-3H3/p+1/t16-,18-/m0/s1