2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)ethanamide

Systemtic Name: 2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)ethanamide Openeye Name: 2-(3-chloro-N-methylsulfonyl-anilino)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)acetamide CAS Name: 2-(3-chloro-N-methylsulfonylanilino)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]acetamide IUPAC Name: 2-(3-chloro-N-methylsulfonylanilino)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)acetamide Traditional Name: 2-(3-chloro-N-mesyl-anilino)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]acetamide Formula: C17H16ClN3O3S3 MolecularWeight: 441.97524

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CN(C3=CC(=CC=C3)Cl)S(=O)(=O)C

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CN(C3=CC(=CC=C3)Cl)S(=O)(=O)C

InChI

InChI=1S/C17H16ClN3O3S3/c1-25-17-20-14-7-6-12(9-15(14)26-17)19-16(22)10-21(27(2,23)24)13-5-3-4-11(18)8-13/h3-9H,10H2,1-2H3,(H,19,22)