3-[(2S)-2-[[(3-chloranyl-5-ethyl-2-methoxy-6-oxidanyl-phenyl)carbonylamino]methyl]pyrrolidin-1-yl]propyl methanesulfonate

Systemtic Name: 3-[(2S)-2-[[(3-chloranyl-5-ethyl-2-methoxy-6-oxidanyl-phenyl)carbonylamino]methyl]pyrrolidin-1-yl]propyl methanesulfonate Openeye Name: 3-[(2S)-2-[[(5-chloro-3-ethyl-2-hydroxy-6-methoxy-benzoyl)amino]methyl]pyrrolidin-1-yl]propyl methanesulfonate CAS Name: methanesulfonic acid 3-[(2S)-2-[[[(5-chloro-3-ethyl-2-hydroxy-6-methoxyphenyl)-oxomethyl]amino]methyl]-1-pyrrolidinyl]propyl ester IUPAC Name: 3-[(2S)-2-[[(5-chloro-3-ethyl-2-hydroxy-6-methoxybenzoyl)amino]methyl]pyrrolidin-1-yl]propyl methanesulfonate Traditional Name: methanesulfonic acid 3-[(2S)-2-[[(5-chloro-3-ethyl-2-hydroxy-6-methoxy-benzoyl)amino]methyl]pyrrolidino]propyl ester Formula: C19H29ClN2O6S MolecularWeight: 448.96136

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1O)C(=O)NCC2CCCN2CCCOS(=O)(=O)C)OC)Cl

Isomeric SMILES

CCC1=CC(=C(C(=C1O)C(=O)NC[C@@H]2CCCN2CCCOS(=O)(=O)C)OC)Cl

InChI

InChI=1S/C19H29ClN2O6S/c1-4-13-11-15(20)18(27-2)16(17(13)23)19(24)21-12-14-7-5-8-22(14)9-6-10-28-29(3,25)26/h11,14,23H,4-10,12H2,1-3H3,(H,21,24)/t14-/m0/s1