[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(4-fluorophenyl)thiazol-4-yl]methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-(4-fluorophenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid [2-(4-fluorophenyl)thiazol-4-yl]methyl ester Formula: C22H21FN2O5S2 MolecularWeight: 476.540943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CSC(=N2)C3=CC=C(C=C3)F)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CSC(=N2)C3=CC=C(C=C3)F)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H21FN2O5S2/c1-29-19-9-6-16(12-20(19)32(27,28)25-10-2-3-11-25)22(26)30-13-18-14-31-21(24-18)15-4-7-17(23)8-5-15/h4-9,12,14H,2-3,10-11,13H2,1H3