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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=C(C=C4)F

InChI

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