1,3-benzothiazol-2-ylmethyl 1-[2,5-bis(chloranyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 1-[2,5-bis(chloranyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,5-dichlorophenyl)sulfonyl-4-piperidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2,5-dichlorophenyl)sulfonylisonipecotic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H18Cl2N2O4S2 MolecularWeight: 485.40392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18Cl2N2O4S2/c21-14-5-6-15(22)18(11-14)30(26,27)24-9-7-13(8-10-24)20(25)28-12-19-23-16-3-1-2-4-17(16)29-19/h1-6,11,13H,7-10,12H2