1,3-benzothiazol-2-ylmethyl 1-[3,4-bis(fluoranyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 1-[3,4-bis(fluoranyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-difluorophenyl)sulfonyl-4-piperidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-difluorophenyl)sulfonylisonipecotic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H18F2N2O4S2 MolecularWeight: 452.494726

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C20H18F2N2O4S2/c21-15-6-5-14(11-16(15)22)30(26,27)24-9-7-13(8-10-24)20(25)28-12-19-23-17-3-1-2-4-18(17)29-19/h1-6,11,13H,7-10,12H2