1,3-benzothiazol-2-ylmethyl 4-piperidin-1-ylsulfonylbenzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-piperidin-1-ylsulfonylbenzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-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=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

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

InChI

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