N-[4-chloranyl-3-(trifluoromethyl)phenyl]-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-keto-2-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C17H14ClF3N2O3S2 MolecularWeight: 450.88287

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C17H14ClF3N2O3S2/c1-9-6-16(24)22-14-8-11(3-5-15(14)27-9)28(25,26)23-10-2-4-13(18)12(7-10)17(19,20)21/h2-5,7-9,23H,6H2,1H3,(H,22,24)