(3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (3-acetyl-2,4,6-trimethyl-phenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid (3-acetyl-2,4,6-trimethylphenyl)methyl ester IUPAC Name: (3-acetyl-2,4,6-trimethylphenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid (3-acetyl-2,4,6-trimethyl-benzyl) ester Formula: C23H27NO5S MolecularWeight: 429.52918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C23H27NO5S/c1-15-13-16(2)22(18(4)25)17(3)21(15)14-29-23(26)19-7-9-20(10-8-19)30(27,28)24-11-5-6-12-24/h7-10,13H,5-6,11-12,14H2,1-4H3