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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NOC(=C2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=CC=CC=C1C2=NOC(=C2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H22N2O6S/c1-28-21-7-3-2-6-19(21)20-14-17(30-23-20)15-29-22(25)16-8-10-18(11-9-16)31(26,27)24-12-4-5-13-24/h2-3,6-11,14H,4-5,12-13,15H2,1H3