1,3-benzothiazol-2-ylmethyl 2-piperidin-1-ylsulfonylbenzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-piperidin-1-ylsulfonylbenzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(1-piperidylsulfonyl)benzoate CAS Name: 2-(1-piperidinylsulfonyl)benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-piperidinosulfonylbenzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H20N2O4S2/c23-20(26-14-19-21-16-9-3-4-10-17(16)27-19)15-8-2-5-11-18(15)28(24,25)22-12-6-1-7-13-22/h2-5,8-11H,1,6-7,12-14H2