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

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

Systemtic Name:2-methyl-4-oxidanylidene-N-[3-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide
Openeye Name:2-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide
CAS Name:2-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide
IUPAC Name:2-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide
Traditional Name:4-keto-2-methyl-N-[3-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide
Formula: C17H15F3N2O3S2
MolecularWeight: 416.43781
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C17H15F3N2O3S2/c1-10-7-16(23)21-14-9-13(5-6-15(14)26-10)27(24,25)22-12-4-2-3-11(8-12)17(18,19)20/h2-6,8-10,22H,7H2,1H3,(H,21,23)


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