tert-butyl 1-[(4-methoxycarbonylphenoxy)methyl]-3-(methylsulfonylamino)pyrrolidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-[(4-methoxycarbonylphenoxy)methyl]-3-(methylsulfonylamino)pyrrolidin-1-ium-1-carboxylate Openeye Name: tert-butyl 3-(methanesulfonamido)-1-[(4-methoxycarbonylphenoxy)methyl]pyrrolidin-1-ium-1-carboxylate CAS Name: 3-(methanesulfonamido)-1-[(4-methoxycarbonylphenoxy)methyl]-1-pyrrolidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(methanesulfonamido)-1-[(4-methoxycarbonylphenoxy)methyl]pyrrolidin-1-ium-1-carboxylate Traditional Name: 1-[(4-carbomethoxyphenoxy)methyl]-3-(methanesulfonamido)pyrrolidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C19H29N2O7S+ MolecularWeight: 429.50776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCC(C1)NS(=O)(=O)C)COC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCC(C1)NS(=O)(=O)C)COC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C19H29N2O7S/c1-19(2,3)28-18(23)21(11-10-15(12-21)20-29(5,24)25)13-27-16-8-6-14(7-9-16)17(22)26-4/h6-9,15,20H,10-13H2,1-5H3/q+1