N-(4-fluoranyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonyl-propanamide

Systemtic Name: N-(4-fluoranyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonyl-propanamide Openeye Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-3-(p-tolylsulfonyl)propanamide CAS Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide IUPAC Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide Traditional Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-3-tosyl-propionamide Formula: C17H15FN2O3S2 MolecularWeight: 378.441003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NC3=C(C=CC=C3S2)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NC3=C(C=CC=C3S2)F

InChI

InChI=1S/C17H15FN2O3S2/c1-11-5-7-12(8-6-11)25(22,23)10-9-15(21)19-17-20-16-13(18)3-2-4-14(16)24-17/h2-8H,9-10H2,1H3,(H,19,20,21)