(2-ethanoyl-5-methoxy-phenyl) 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (2-ethanoyl-5-methoxy-phenyl) 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (2-acetyl-5-methoxy-phenyl) 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid (2-acetyl-5-methoxyphenyl) ester IUPAC Name: (2-acetyl-5-methoxyphenyl) 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid (2-acetyl-5-methoxy-phenyl) ester Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO6S/c1-14(22)18-10-7-16(26-2)13-19(18)27-20(23)15-5-8-17(9-6-15)28(24,25)21-11-3-4-12-21/h5-10,13H,3-4,11-12H2,1-2H3