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

Systemtic Name: tert-butyl 2-[4,5-bis(azanyl)-2-(4-methylsulfonylphenoxy)phenyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[4,5-diamino-2-(4-methylsulfonylphenoxy)phenyl]pyrrolidine-1-carboxylate CAS Name: 2-[4,5-diamino-2-(4-methylsulfonylphenoxy)phenyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4,5-diamino-2-(4-methylsulfonylphenoxy)phenyl]pyrrolidine-1-carboxylate Traditional Name: 2-[4,5-diamino-2-(4-mesylphenoxy)phenyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C2=CC(=C(C=C2OC3=CC=C(C=C3)S(=O)(=O)C)N)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C2=CC(=C(C=C2OC3=CC=C(C=C3)S(=O)(=O)C)N)N

InChI

InChI=1S/C22H29N3O5S/c1-22(2,3)30-21(26)25-11-5-6-19(25)16-12-17(23)18(24)13-20(16)29-14-7-9-15(10-8-14)31(4,27)28/h7-10,12-13,19H,5-6,11,23-24H2,1-4H3