1,3-benzothiazol-2-ylmethyl 4-(phenylsulfonylmethyl)benzoate

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

Isomeric SMILES

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

InChI

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