N-(6-fluoranyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonyl-propanamide

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonyl-propanamide Openeye Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(p-tolylsulfonyl)propanamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide Traditional Name: N-(6-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(S2)C=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)F

InChI

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