tert-butyl 1-[(4-methoxycarbonylphenoxy)methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]pyrrolidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-[(4-methoxycarbonylphenoxy)methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]pyrrolidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-[(4-methoxycarbonylphenoxy)methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]pyrrolidin-1-ium-1-carboxylate CAS Name: 1-[(4-methoxycarbonylphenoxy)methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]-1-pyrrolidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[(4-methoxycarbonylphenoxy)methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]pyrrolidin-1-ium-1-carboxylate Traditional Name: 1-[(4-carbomethoxyphenoxy)methyl]-3-(mesitylsulfonylamino)pyrrolidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C27H37N2O7S+ MolecularWeight: 533.65688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2CC[N+](C2)(COC3=CC=C(C=C3)C(=O)OC)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2CC[N+](C2)(COC3=CC=C(C=C3)C(=O)OC)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C27H37N2O7S/c1-18-14-19(2)24(20(3)15-18)37(32,33)28-22-12-13-29(16-22,26(31)36-27(4,5)6)17-35-23-10-8-21(9-11-23)25(30)34-7/h8-11,14-15,22,28H,12-13,16-17H2,1-7H3/q+1