(2-tert-butyl-4-methoxy-phenyl) 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (2-tert-butyl-4-methoxy-phenyl) 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (2-tert-butyl-4-methoxy-phenyl) 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid (2-tert-butyl-4-methoxyphenyl) ester IUPAC Name: (2-tert-butyl-4-methoxyphenyl) 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid (2-tert-butyl-4-methoxy-phenyl) ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)OC)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)OC)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H27NO5S/c1-22(2,3)19-15-17(27-4)10-11-20(19)28-21(24)16-8-7-9-18(14-16)29(25,26)23-12-5-6-13-23/h7-11,14-15H,5-6,12-13H2,1-4H3