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

Systemtic Name: 4-oxidanylidene-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: 4-oxo-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: 4-oxo-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: 4-oxo-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: 4-keto-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C18H17F3N2O4S2 MolecularWeight: 446.46379

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)S(=O)(=O)NCCOC3=CC=CC(=C3)C(F)(F)F)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)S(=O)(=O)NCCOC3=CC=CC(=C3)C(F)(F)F)NC1=O

InChI

InChI=1S/C18H17F3N2O4S2/c19-18(20,21)12-2-1-3-13(10-12)27-8-7-22-29(25,26)14-4-5-16-15(11-14)23-17(24)6-9-28-16/h1-5,10-11,22H,6-9H2,(H,23,24)