1,3-benzothiazol-2-ylmethyl (3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl (3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate CAS Name: (3S)-1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: (3S)-1-(4-fluorophenyl)sulfonylnipecotic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H19FN2O4S2 MolecularWeight: 434.504263

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H19FN2O4S2/c21-15-7-9-16(10-8-15)29(25,26)23-11-3-4-14(12-23)20(24)27-13-19-22-17-5-1-2-6-18(17)28-19/h1-2,5-10,14H,3-4,11-13H2/t14-/m0/s1