1,3-benzothiazol-2-ylmethyl 1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: 1-(2-fluorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C19H17FN2O4S2 MolecularWeight: 420.477683

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2F)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2F)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H17FN2O4S2/c20-13-6-1-4-10-17(13)28(24,25)22-11-5-8-15(22)19(23)26-12-18-21-14-7-2-3-9-16(14)27-18/h1-4,6-7,9-10,15H,5,8,11-12H2