(4-tert-butylphenyl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (4-tert-butylphenyl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (4-tert-butylphenyl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid (4-tert-butylbenzyl) ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO4S/c1-22(2,3)19-11-9-17(10-12-19)16-27-21(24)18-7-6-8-20(15-18)28(25,26)23-13-4-5-14-23/h6-12,15H,4-5,13-14,16H2,1-3H3