N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonyl-N-(phenylmethyl)ethanamide

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonyl-acetamide CAS Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonyl-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetamide Traditional Name: N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonyl-acetamide Formula: C24H21FN2O3S2 MolecularWeight: 468.563543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CC=CC=C3)C(=O)CS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CC=CC=C3)C(=O)CS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H21FN2O3S2/c1-16-12-21-22(13-17(16)2)31-24(26-21)27(14-18-6-4-3-5-7-18)23(28)15-32(29,30)20-10-8-19(25)9-11-20/h3-13H,14-15H2,1-2H3