4-(4-fluorophenyl)sulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)butanamide

Systemtic Name: 4-(4-fluorophenyl)sulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)butanamide Openeye Name: 4-(4-fluorophenyl)sulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)butanamide CAS Name: 4-(4-fluorophenyl)sulfonyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]butanamide IUPAC Name: 4-(4-fluorophenyl)sulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)butanamide Traditional Name: 4-(4-fluorophenyl)sulfonyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]butyramide Formula: C18H17FN2O3S3 MolecularWeight: 424.532583

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H17FN2O3S3/c1-25-18-21-15-9-6-13(11-16(15)26-18)20-17(22)3-2-10-27(23,24)14-7-4-12(19)5-8-14/h4-9,11H,2-3,10H2,1H3,(H,20,22)