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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=NC(=NO2)C3=CC(=CC=C3)Cl)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=NC(=NO2)C3=CC(=CC=C3)Cl)S(=O)(=O)N4CCCC4

InChI

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