[2-(2-methylpropyl)-5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] methanesulfonate

Systemtic Name: [2-(2-methylpropyl)-5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] methanesulfonate Openeye Name: [2-isobutyl-5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] methanesulfonate CAS Name: methanesulfonic acid [2-(2-methylpropyl)-5-oxo-1-[(4-phenoxyphenyl)methyl]-3-pyrrolidinyl] ester IUPAC Name: [2-(2-methylpropyl)-5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [2-isobutyl-5-keto-1-(4-phenoxybenzyl)pyrrolidin-3-yl] ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(CC(=O)N1CC2=CC=C(C=C2)OC3=CC=CC=C3)OS(=O)(=O)C

Isomeric SMILES

CC(C)CC1C(CC(=O)N1CC2=CC=C(C=C2)OC3=CC=CC=C3)OS(=O)(=O)C

InChI

InChI=1S/C22H27NO5S/c1-16(2)13-20-21(28-29(3,25)26)14-22(24)23(20)15-17-9-11-19(12-10-17)27-18-7-5-4-6-8-18/h4-12,16,20-21H,13-15H2,1-3H3