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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-piperidin-1-ylsulfonylbenzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-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(=C2)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

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

InChI

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