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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CSC2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)NC1=O

Isomeric SMILES

CC1CSC2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)NC1=O

InChI

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