(4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C24H31NO4S MolecularWeight: 429.57224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C)C(C)(C)C

InChI

InChI=1S/C24H31NO4S/c1-17-13-20(24(3,4)5)14-18(2)22(17)16-29-23(26)19-9-8-10-21(15-19)30(27,28)25-11-6-7-12-25/h8-10,13-15H,6-7,11-12,16H2,1-5H3