1,3-benzothiazol-2-ylmethyl 1-ethylsulfonylpiperidine-4-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-4-piperidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 1-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C16H20N2O4S2 MolecularWeight: 368.471

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H20N2O4S2/c1-2-24(20,21)18-9-7-12(8-10-18)16(19)22-11-15-17-13-5-3-4-6-14(13)23-15/h3-6,12H,2,7-11H2,1H3