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

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C16H12ClF3N2O3S2 MolecularWeight: 436.85629

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)NC1=O

InChI

InChI=1S/C16H12ClF3N2O3S2/c17-12-3-1-9(7-11(12)16(18,19)20)22-27(24,25)10-2-4-14-13(8-10)21-15(23)5-6-26-14/h1-4,7-8,22H,5-6H2,(H,21,23)