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

Systemtic Name: 3-(4-fluorophenyl)sulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide Openeye Name: 3-(4-fluorophenyl)sulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide CAS Name: 3-(4-fluorophenyl)sulfonyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 3-(4-fluorophenyl)sulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide Traditional Name: 3-(4-fluorophenyl)sulfonyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]propionamide Formula: C17H15FN2O3S3 MolecularWeight: 410.506003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15FN2O3S3/c1-24-17-20-14-7-4-12(10-15(14)25-17)19-16(21)8-9-26(22,23)13-5-2-11(18)3-6-13/h2-7,10H,8-9H2,1H3,(H,19,21)