[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [5-(3,4-dimethoxyphenyl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl ester Formula: C23H24N2O7S MolecularWeight: 472.51086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NO2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NO2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)OC

InChI

InChI=1S/C23H24N2O7S/c1-29-20-10-7-17(13-22(20)30-2)21-14-18(24-32-21)15-31-23(26)16-5-8-19(9-6-16)33(27,28)25-11-3-4-12-25/h5-10,13-14H,3-4,11-12,15H2,1-2H3