2-chloranyl-4-methylsulfonyl-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 2-chloranyl-4-methylsulfonyl-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Openeye Name: 2-chloro-4-methylsulfonyl-N-[2-(3-pyridylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide CAS Name: 2-chloro-4-methylsulfonyl-N-[2-(3-pyridinylmethylthio)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 2-chloro-4-methylsulfonyl-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Traditional Name: 2-chloro-4-mesyl-N-[2-(3-pyridylmethylthio)-1,3-benzothiazol-6-yl]benzamide Formula: C21H16ClN3O3S3 MolecularWeight: 490.01804

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CN=CC=C4)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CN=CC=C4)Cl

InChI

InChI=1S/C21H16ClN3O3S3/c1-31(27,28)15-5-6-16(17(22)10-15)20(26)24-14-4-7-18-19(9-14)30-21(25-18)29-12-13-3-2-8-23-11-13/h2-11H,12H2,1H3,(H,24,26)