tert-butyl 2-[5-azanyl-2-(4-methylsulfonylphenoxy)phenyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[5-azanyl-2-(4-methylsulfonylphenoxy)phenyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[5-amino-2-(4-methylsulfonylphenoxy)phenyl]pyrrolidine-1-carboxylate CAS Name: 2-[5-amino-2-(4-methylsulfonylphenoxy)phenyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[5-amino-2-(4-methylsulfonylphenoxy)phenyl]pyrrolidine-1-carboxylate Traditional Name: 2-[5-amino-2-(4-mesylphenoxy)phenyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C2=C(C=CC(=C2)N)OC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C2=C(C=CC(=C2)N)OC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C22H28N2O5S/c1-22(2,3)29-21(25)24-13-5-6-19(24)18-14-15(23)7-12-20(18)28-16-8-10-17(11-9-16)30(4,26)27/h7-12,14,19H,5-6,13,23H2,1-4H3