[4-(1,3-benzothiazol-2-yl)phenyl] 2-methylsulfonylbenzoate

Systemtic Name: [4-(1,3-benzothiazol-2-yl)phenyl] 2-methylsulfonylbenzoate Openeye Name: [4-(1,3-benzothiazol-2-yl)phenyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [4-(1,3-benzothiazol-2-yl)phenyl] ester IUPAC Name: [4-(1,3-benzothiazol-2-yl)phenyl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [4-(1,3-benzothiazol-2-yl)phenyl] ester Formula: C21H15NO4S2 MolecularWeight: 409.4781

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)OC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)OC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H15NO4S2/c1-28(24,25)19-9-5-2-6-16(19)21(23)26-15-12-10-14(11-13-15)20-22-17-7-3-4-8-18(17)27-20/h2-13H,1H3