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

Systemtic Name: (4-tert-butyl-2-methyl-phenyl) 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (4-tert-butyl-2-methyl-phenyl) 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid (4-tert-butyl-2-methylphenyl) ester IUPAC Name: (4-tert-butyl-2-methylphenyl) 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid (4-tert-butyl-2-methyl-phenyl) ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H27NO4S/c1-16-14-18(22(2,3)4)10-11-20(16)27-21(24)17-8-7-9-19(15-17)28(25,26)23-12-5-6-13-23/h7-11,14-15H,5-6,12-13H2,1-4H3