N-(4-fluoranyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(phenylmethyl)sulfonyl-ethanamide

Systemtic Name: N-(4-fluoranyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(phenylmethyl)sulfonyl-ethanamide Openeye Name: 2-benzylsulfonyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)acetamide CAS Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-2-(phenylmethyl)sulfonylacetamide IUPAC Name: 2-benzylsulfonyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-benzylsulfonyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-furfuryl)acetamide Formula: C21H17FN2O4S2 MolecularWeight: 444.499083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CC(=O)N(CC2=CC=CO2)C3=NC4=C(C=CC=C4S3)F

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CC(=O)N(CC2=CC=CO2)C3=NC4=C(C=CC=C4S3)F

InChI

InChI=1S/C21H17FN2O4S2/c22-17-9-4-10-18-20(17)23-21(29-18)24(12-16-8-5-11-28-16)19(25)14-30(26,27)13-15-6-2-1-3-7-15/h1-11H,12-14H2