(5-ethanoyl-2-methoxy-phenyl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO6S/c1-15(23)16-8-9-20(27-2)18(12-16)14-28-21(24)17-6-5-7-19(13-17)29(25,26)22-10-3-4-11-22/h5-9,12-13H,3-4,10-11,14H2,1-2H3