(3,5-dimethoxyphenyl) 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (3,5-dimethoxyphenyl) 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (3,5-dimethoxyphenyl) 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid (3,5-dimethoxyphenyl) ester IUPAC Name: (3,5-dimethoxyphenyl) 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid (3,5-dimethoxyphenyl) ester Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)OC

InChI

InChI=1S/C19H21NO6S/c1-24-15-11-16(25-2)13-17(12-15)26-19(21)14-5-7-18(8-6-14)27(22,23)20-9-3-4-10-20/h5-8,11-13H,3-4,9-10H2,1-2H3