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

Systemtic Name: 4-oxidanylidene-N-[2-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: 4-oxo-N-[2-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: 4-oxo-N-[2-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: 4-oxo-N-[2-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: 4-keto-N-[2-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C16H13F3N2O3S2 MolecularWeight: 402.41123

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3C(F)(F)F)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3C(F)(F)F)NC1=O

InChI

InChI=1S/C16H13F3N2O3S2/c17-16(18,19)11-3-1-2-4-12(11)21-26(23,24)10-5-6-14-13(9-10)20-15(22)7-8-25-14/h1-6,9,21H,7-8H2,(H,20,22)