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

Systemtic Name: 2-[(2S)-2-[[(3-chloranyl-5-ethyl-2-methoxy-6-oxidanyl-phenyl)carbonylamino]methyl]pyrrolidin-1-yl]ethyl methanesulfonate Openeye Name: 2-[(2S)-2-[[(5-chloro-3-ethyl-2-hydroxy-6-methoxy-benzoyl)amino]methyl]pyrrolidin-1-yl]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[(2S)-2-[[[(5-chloro-3-ethyl-2-hydroxy-6-methoxyphenyl)-oxomethyl]amino]methyl]-1-pyrrolidinyl]ethyl ester IUPAC Name: 2-[(2S)-2-[[(5-chloro-3-ethyl-2-hydroxy-6-methoxybenzoyl)amino]methyl]pyrrolidin-1-yl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[(2S)-2-[[(5-chloro-3-ethyl-2-hydroxy-6-methoxy-benzoyl)amino]methyl]pyrrolidino]ethyl ester Formula: C18H27ClN2O6S MolecularWeight: 434.93478

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1O)C(=O)NCC2CCCN2CCOS(=O)(=O)C)OC)Cl

Isomeric SMILES

CCC1=CC(=C(C(=C1O)C(=O)NC[C@@H]2CCCN2CCOS(=O)(=O)C)OC)Cl

InChI

InChI=1S/C18H27ClN2O6S/c1-4-12-10-14(19)17(26-2)15(16(12)22)18(23)20-11-13-6-5-7-21(13)8-9-27-28(3,24)25/h10,13,22H,4-9,11H2,1-3H3,(H,20,23)/t13-/m0/s1