3-fluoranyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide

Systemtic Name: 3-fluoranyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide Openeye Name: 3-fluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-[2-(2-thienyl)ethyl]benzamide CAS Name: 3-fluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide IUPAC Name: 3-fluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide Traditional Name: 3-fluoro-N-(6-mesyl-1,3-benzothiazol-2-yl)-N-[2-(2-thienyl)ethyl]benzamide Formula: C21H17FN2O3S3 MolecularWeight: 460.564683

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N(CCC3=CC=CS3)C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N(CCC3=CC=CS3)C(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C21H17FN2O3S3/c1-30(26,27)17-7-8-18-19(13-17)29-21(23-18)24(10-9-16-6-3-11-28-16)20(25)14-4-2-5-15(22)12-14/h2-8,11-13H,9-10H2,1H3