(3,5-ditert-butylphenyl) 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (3,5-ditert-butylphenyl) 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (3,5-ditert-butylphenyl) 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid (3,5-ditert-butylphenyl) ester IUPAC Name: (3,5-ditert-butylphenyl) 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid (3,5-ditert-butylphenyl) ester Formula: C26H35NO5S MolecularWeight: 473.6248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35NO5S/c1-25(2,3)19-15-20(26(4,5)6)17-21(16-19)32-24(28)18-10-11-22(31-7)23(14-18)33(29,30)27-12-8-9-13-27/h10-11,14-17H,8-9,12-13H2,1-7H3