(3,4-dimethoxyphenyl)methyl 2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (3,4-dimethoxyphenyl)methyl 2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (3,4-dimethoxyphenyl)methyl 2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-methyl-5-(1-pyrrolidinylsulfonyl)benzoic acid (3,4-dimethoxyphenyl)methyl ester IUPAC Name: (3,4-dimethoxyphenyl)methyl 2-methyl-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-pyrrolidinosulfonyl-benzoic acid veratryl ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)OCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)OCC3=CC(=C(C=C3)OC)OC

InChI

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