1,3-benzothiazol-2-ylmethyl (2S)-1-(phenylsulfonyl)piperidine-2-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (2S)-1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl (2S)-1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: (2S)-1-(benzenesulfonyl)-2-piperidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (2S)-1-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: (2S)-1-besylpipecolinic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN([C@@H](C1)C(=O)OCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H20N2O4S2/c23-20(26-14-19-21-16-10-4-5-12-18(16)27-19)17-11-6-7-13-22(17)28(24,25)15-8-2-1-3-9-15/h1-5,8-10,12,17H,6-7,11,13-14H2/t17-/m0/s1