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

Systemtic Name: [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [5-(3-methoxyphenyl)isoxazol-3-yl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [5-(3-methoxyphenyl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [5-(3-methoxyphenyl)isoxazol-3-yl]methyl ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O6S/c1-28-19-6-4-5-17(13-19)21-14-18(23-30-21)15-29-22(25)16-7-9-20(10-8-16)31(26,27)24-11-2-3-12-24/h4-10,13-14H,2-3,11-12,15H2,1H3