cyclohexyl (3R)-3-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]amino]nonane-1-sulfonate

Systemtic Name: cyclohexyl (3R)-3-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]amino]nonane-1-sulfonate Openeye Name: cyclohexyl (3R)-3-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]amino]nonane-1-sulfonate CAS Name: (3R)-3-[[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]amino]-1-nonanesulfonic acid IUPAC Name: cyclohexyl (3R)-3-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]amino]nonane-1-sulfonate Traditional Name: (3R)-3-[[(2S)-2-(methoxymethyl)pyrrolidino]amino]nonane-1-sulfonic acid cyclohexyl ester Formula: C21H42N2O4S MolecularWeight: 418.63418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCS(=O)(=O)OC1CCCCC1)NN2CCCC2COC

Isomeric SMILES

CCCCCC[C@H](CCS(=O)(=O)OC1CCCCC1)NN2CCC[C@H]2COC

InChI

InChI=1S/C21H42N2O4S/c1-3-4-5-7-11-19(22-23-16-10-12-20(23)18-26-2)15-17-28(24,25)27-21-13-8-6-9-14-21/h19-22H,3-18H2,1-2H3/t19-,20+/m1/s1