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

Systemtic Name: [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(4-fluorophenyl)thiazol-4-yl]methyl 2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoic acid [2-(4-fluorophenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-pyrrolidinosulfonyl-benzoic acid [2-(4-fluorophenyl)thiazol-4-yl]methyl ester Formula: C21H18ClFN2O4S2 MolecularWeight: 480.960023

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC3=CSC(=N3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC3=CSC(=N3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H18ClFN2O4S2/c22-19-8-7-17(31(27,28)25-9-1-2-10-25)11-18(19)21(26)29-12-16-13-30-20(24-16)14-3-5-15(23)6-4-14/h3-8,11,13H,1-2,9-10,12H2