N-(4-fluoranyl-1,3-benzothiazol-2-yl)-2-(phenylsulfonyl)-N-(pyridin-2-ylmethyl)ethanamide

Systemtic Name: N-(4-fluoranyl-1,3-benzothiazol-2-yl)-2-(phenylsulfonyl)-N-(pyridin-2-ylmethyl)ethanamide Openeye Name: 2-(benzenesulfonyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)acetamide CAS Name: 2-(benzenesulfonyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)acetamide IUPAC Name: 2-(benzenesulfonyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide Traditional Name: 2-besyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)acetamide Formula: C21H16FN3O3S2 MolecularWeight: 441.498443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CC(=O)N(CC2=CC=CC=N2)C3=NC4=C(C=CC=C4S3)F

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CC(=O)N(CC2=CC=CC=N2)C3=NC4=C(C=CC=C4S3)F

InChI

InChI=1S/C21H16FN3O3S2/c22-17-10-6-11-18-20(17)24-21(29-18)25(13-15-7-4-5-12-23-15)19(26)14-30(27,28)16-8-2-1-3-9-16/h1-12H,13-14H2