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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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