cyclohexyl (4R)-4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]amino]octane-1-sulfonate

Systemtic Name: cyclohexyl (4R)-4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]amino]octane-1-sulfonate Openeye Name: cyclohexyl (4R)-4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]amino]octane-1-sulfonate CAS Name: (4R)-4-[[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]amino]-1-octanesulfonic acid IUPAC Name: cyclohexyl (4R)-4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]amino]octane-1-sulfonate Traditional Name: (4R)-4-[[(2S)-2-(methoxymethyl)pyrrolidino]amino]octane-1-sulfonic acid cyclohexyl ester Formula: C20H40N2O4S MolecularWeight: 404.6076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCS(=O)(=O)OC1CCCCC1)NN2CCCC2COC

Isomeric SMILES

CCCC[C@H](CCCS(=O)(=O)OC1CCCCC1)NN2CCC[C@H]2COC

InChI

InChI=1S/C20H40N2O4S/c1-3-4-10-18(21-22-15-8-12-19(22)17-25-2)11-9-16-27(23,24)26-20-13-6-5-7-14-20/h18-21H,3-17H2,1-2H3/t18-,19+/m1/s1