tert-butyl 1-[(4-methoxycarbonylphenoxy)methyl]-3-(naphthalen-2-ylsulfonylamino)pyrrolidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-[(4-methoxycarbonylphenoxy)methyl]-3-(naphthalen-2-ylsulfonylamino)pyrrolidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-[(4-methoxycarbonylphenoxy)methyl]-3-(2-naphthylsulfonylamino)pyrrolidin-1-ium-1-carboxylate CAS Name: 1-[(4-methoxycarbonylphenoxy)methyl]-3-(2-naphthalenylsulfonylamino)-1-pyrrolidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[(4-methoxycarbonylphenoxy)methyl]-3-(naphthalen-2-ylsulfonylamino)pyrrolidin-1-ium-1-carboxylate Traditional Name: 1-[(4-carbomethoxyphenoxy)methyl]-3-(2-naphthylsulfonylamino)pyrrolidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C28H33N2O7S+ MolecularWeight: 541.63582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCC(C1)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)COC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCC(C1)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)COC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C28H33N2O7S/c1-28(2,3)37-27(32)30(19-36-24-12-9-21(10-13-24)26(31)35-4)16-15-23(18-30)29-38(33,34)25-14-11-20-7-5-6-8-22(20)17-25/h5-14,17,23,29H,15-16,18-19H2,1-4H3/q+1