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

Systemtic Name: cyclohexyl (2R)-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]amino]-4-phenyl-butane-1-sulfonate Openeye Name: cyclohexyl (2R)-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]amino]-4-phenyl-butane-1-sulfonate CAS Name: (2R)-2-[[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]amino]-4-phenyl-1-butanesulfonic acid IUPAC Name: cyclohexyl (2R)-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]amino]-4-phenylbutane-1-sulfonate Traditional Name: (2R)-2-[[(2S)-2-(methoxymethyl)pyrrolidino]amino]-4-phenyl-butane-1-sulfonic acid cyclohexyl ester Formula: C22H36N2O4S MolecularWeight: 424.59724

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Descriptors Computed from Structure

Canonical SMILES:

COCC1CCCN1NC(CCC2=CC=CC=C2)CS(=O)(=O)OC3CCCCC3

Isomeric SMILES

COC[C@@H]1CCCN1N[C@H](CCC2=CC=CC=C2)CS(=O)(=O)OC3CCCCC3

InChI

InChI=1S/C22H36N2O4S/c1-27-17-21-11-8-16-24(21)23-20(15-14-19-9-4-2-5-10-19)18-29(25,26)28-22-12-6-3-7-13-22/h2,4-5,9-10,20-23H,3,6-8,11-18H2,1H3/t20-,21+/m1/s1