6-chloranyl-1-oxidanyl-3-oxidanylidene-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-isoindole-5-sulfonamide

Systemtic Name: 6-chloranyl-1-oxidanyl-3-oxidanylidene-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-isoindole-5-sulfonamide Openeye Name: 6-chloro-1-hydroxy-3-oxo-2-[1-[[3-(trifluoromethyl)phenyl]methyl]-4-piperidyl]isoindoline-5-sulfonamide CAS Name: 6-chloro-1-hydroxy-3-oxo-2-[1-[[3-(trifluoromethyl)phenyl]methyl]-4-piperidinyl]-1H-isoindole-5-sulfonamide IUPAC Name: 6-chloro-1-hydroxy-3-oxo-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-isoindole-5-sulfonamide Traditional Name: 6-chloro-1-hydroxy-3-keto-2-[1-[3-(trifluoromethyl)benzyl]-4-piperidyl]isoindoline-5-sulfonamide Formula: C21H21ClF3N3O4S MolecularWeight: 503.92235

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C(C3=CC(=C(C=C3C2=O)S(=O)(=O)N)Cl)O)CC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCC1N2C(C3=CC(=C(C=C3C2=O)S(=O)(=O)N)Cl)O)CC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C21H21ClF3N3O4S/c22-17-9-15-16(10-18(17)33(26,31)32)20(30)28(19(15)29)14-4-6-27(7-5-14)11-12-2-1-3-13(8-12)21(23,24)25/h1-3,8-10,14,19,29H,4-7,11H2,(H2,26,31,32)