1,3-benzothiazol-2-ylmethyl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H19ClN2O4S2 MolecularWeight: 450.95886

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H19ClN2O4S2/c21-16-9-8-14(29(25,26)23-10-4-1-5-11-23)12-15(16)20(24)27-13-19-22-17-6-2-3-7-18(17)28-19/h2-3,6-9,12H,1,4-5,10-11,13H2