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

Systemtic Name: cyclohexyl (3R)-3-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]amino]heptane-1-sulfonate Openeye Name: cyclohexyl (3R)-3-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]amino]heptane-1-sulfonate CAS Name: (3R)-3-[[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]amino]-1-heptanesulfonic acid IUPAC Name: cyclohexyl (3R)-3-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]amino]heptane-1-sulfonate Traditional Name: (3R)-3-[[(2S)-2-(methoxymethyl)pyrrolidino]amino]heptane-1-sulfonic acid cyclohexyl ester Formula: C19H38N2O4S MolecularWeight: 390.58102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCS(=O)(=O)OC1CCCCC1)NN2CCCC2COC

Isomeric SMILES

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

InChI

InChI=1S/C19H38N2O4S/c1-3-4-9-17(20-21-14-8-10-18(21)16-24-2)13-15-26(22,23)25-19-11-6-5-7-12-19/h17-20H,3-16H2,1-2H3/t17-,18+/m1/s1