1,3-benzothiazol-2-ylmethyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H18N2O4S3 MolecularWeight: 422.54152

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C18H18N2O4S3/c21-18(24-12-16-19-14-4-1-2-5-15(14)26-16)13-7-9-20(10-8-13)27(22,23)17-6-3-11-25-17/h1-6,11,13H,7-10,12H2