1,3-benzothiazol-2-ylmethyl 3-(phenylsulfonylmethyl)benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-(phenylsulfonylmethyl)benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-(benzenesulfonylmethyl)benzoate CAS Name: 3-(benzenesulfonylmethyl)benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-(benzenesulfonylmethyl)benzoate Traditional Name: 3-(besylmethyl)benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C22H17NO4S2 MolecularWeight: 423.50468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CC2=CC=CC(=C2)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CC2=CC=CC(=C2)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H17NO4S2/c24-22(27-14-21-23-19-11-4-5-12-20(19)28-21)17-8-6-7-16(13-17)15-29(25,26)18-9-2-1-3-10-18/h1-13H,14-15H2