2-[2-(4-methylphenyl)sulfonylethyl]-1,3-benzothiazole

Systemtic Name: 2-[2-(4-methylphenyl)sulfonylethyl]-1,3-benzothiazole Openeye Name: 2-[2-(p-tolylsulfonyl)ethyl]-1,3-benzothiazole CAS Name: 2-[2-(4-methylphenyl)sulfonylethyl]-1,3-benzothiazole IUPAC Name: 2-[2-(4-methylphenyl)sulfonylethyl]-1,3-benzothiazole Traditional Name: 2-(2-tosylethyl)-1,3-benzothiazole Formula: C16H15NO2S2 MolecularWeight: 317.4258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H15NO2S2/c1-12-6-8-13(9-7-12)21(18,19)11-10-16-17-14-4-2-3-5-15(14)20-16/h2-9H,10-11H2,1H3