N-(3-cyclopentylsulfonylphenyl)-2-[3-oxidanylidene-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]ethanamide

Systemtic Name: N-(3-cyclopentylsulfonylphenyl)-2-[3-oxidanylidene-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]ethanamide Openeye Name: N-(3-cyclopentylsulfonylphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide CAS Name: N-(3-cyclopentylsulfonylphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide IUPAC Name: N-(3-cyclopentylsulfonylphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide Traditional Name: N-(3-cyclopentylsulfonylphenyl)-2-[3-keto-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide Formula: C22H21F3N2O4S2 MolecularWeight: 498.53835

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CC3C(=O)NC4=C(S3)C=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CCC(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CC3C(=O)NC4=C(S3)C=CC(=C4)C(F)(F)F

InChI

InChI=1S/C22H21F3N2O4S2/c23-22(24,25)13-8-9-18-17(10-13)27-21(29)19(32-18)12-20(28)26-14-4-3-7-16(11-14)33(30,31)15-5-1-2-6-15/h3-4,7-11,15,19H,1-2,5-6,12H2,(H,26,28)(H,27,29)