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

Systemtic Name: cyclohexyl (4S)-4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]amino]-4-phenyl-butane-1-sulfonate Openeye Name: cyclohexyl (4S)-4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]amino]-4-phenyl-butane-1-sulfonate CAS Name: (4S)-4-[[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]amino]-4-phenyl-1-butanesulfonic acid IUPAC Name: cyclohexyl (4S)-4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]amino]-4-phenylbutane-1-sulfonate Traditional Name: (4S)-4-[[(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(CCCS(=O)(=O)OC2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

COC[C@@H]1CCCN1N[C@@H](CCCS(=O)(=O)OC2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C22H36N2O4S/c1-27-18-20-12-8-16-24(20)23-22(19-10-4-2-5-11-19)15-9-17-29(25,26)28-21-13-6-3-7-14-21/h2,4-5,10-11,20-23H,3,6-9,12-18H2,1H3/t20-,22-/m0/s1