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

Systemtic Name: [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [3-(4-chlorophenyl)isoxazol-5-yl]methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid [3-(4-chlorophenyl)-5-isoxazolyl]methyl ester IUPAC Name: [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid [3-(4-chlorophenyl)isoxazol-5-yl]methyl ester Formula: C22H21ClN2O6S MolecularWeight: 476.92994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN2O6S/c1-29-20-9-6-16(12-21(20)32(27,28)25-10-2-3-11-25)22(26)30-14-18-13-19(24-31-18)15-4-7-17(23)8-5-15/h4-9,12-13H,2-3,10-11,14H2,1H3