[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C21H20ClN3O6S MolecularWeight: 477.918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H20ClN3O6S/c1-29-16-7-4-14(5-8-16)20-23-19(31-24-20)13-30-21(26)15-6-9-17(22)18(12-15)32(27,28)25-10-2-3-11-25/h4-9,12H,2-3,10-11,13H2,1H3