(4,5-dimethoxy-2-methyl-phenyl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid (4,5-dimethoxy-2-methylphenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid (4,5-dimethoxy-2-methyl-benzyl) ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO6S/c1-15-11-19(26-2)20(27-3)13-17(15)14-28-21(23)16-7-6-8-18(12-16)29(24,25)22-9-4-5-10-22/h6-8,11-13H,4-5,9-10,14H2,1-3H3