2-(4-methylphenyl)sulfonyl-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]ethanamide

Systemtic Name: 2-(4-methylphenyl)sulfonyl-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]ethanamide Openeye Name: 2-(p-tolylsulfonyl)-N-[2-(3-pyridylmethylsulfanyl)-1,3-benzothiazol-6-yl]acetamide CAS Name: 2-(4-methylphenyl)sulfonyl-N-[2-(3-pyridinylmethylthio)-1,3-benzothiazol-6-yl]acetamide IUPAC Name: 2-(4-methylphenyl)sulfonyl-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]acetamide Traditional Name: N-[2-(3-pyridylmethylthio)-1,3-benzothiazol-6-yl]-2-tosyl-acetamide Formula: C22H19N3O3S3 MolecularWeight: 469.59956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CN=CC=C4

InChI

InChI=1S/C22H19N3O3S3/c1-15-4-7-18(8-5-15)31(27,28)14-21(26)24-17-6-9-19-20(11-17)30-22(25-19)29-13-16-3-2-10-23-12-16/h2-12H,13-14H2,1H3,(H,24,26)