N-(6-fluoranyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)propanamide

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)propanamide Openeye Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)-3-tetrahydropyran-4-yl-propanamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)-3-(4-oxanyl)propanamide IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)propanamide Traditional Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-mesylphenyl)-3-tetrahydropyran-4-yl-propionamide Formula: C22H23FN2O4S2 MolecularWeight: 462.557423

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(CC2CCOCC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(CC2CCOCC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)F

InChI

InChI=1S/C22H23FN2O4S2/c1-31(27,28)17-5-2-15(3-6-17)18(12-14-8-10-29-11-9-14)21(26)25-22-24-19-7-4-16(23)13-20(19)30-22/h2-7,13-14,18H,8-12H2,1H3,(H,24,25,26)