4-ethyl-5-(3-methyl-4-oxidanyl-phenyl)sulfonyl-7-(trifluoromethyl)-4H-pyrrolo[1,2-a]quinoxaline-1-carbonitrile

Systemtic Name: 4-ethyl-5-(3-methyl-4-oxidanyl-phenyl)sulfonyl-7-(trifluoromethyl)-4H-pyrrolo[1,2-a]quinoxaline-1-carbonitrile Openeye Name: 4-ethyl-5-(4-hydroxy-3-methyl-phenyl)sulfonyl-7-(trifluoromethyl)-4H-pyrrolo[1,2-a]quinoxaline-1-carbonitrile CAS Name: 4-ethyl-5-(4-hydroxy-3-methylphenyl)sulfonyl-7-(trifluoromethyl)-4H-pyrrolo[1,2-a]quinoxaline-1-carbonitrile IUPAC Name: 4-ethyl-5-(4-hydroxy-3-methylphenyl)sulfonyl-7-(trifluoromethyl)-4H-pyrrolo[1,2-a]quinoxaline-1-carbonitrile Traditional Name: 4-ethyl-5-(4-hydroxy-3-methyl-phenyl)sulfonyl-7-(trifluoromethyl)-4H-pyrrolo[1,2-a]quinoxaline-1-carbonitrile Formula: C22H18F3N3O3S MolecularWeight: 461.45683

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=CC=C(N2C3=C(N1S(=O)(=O)C4=CC(=C(C=C4)O)C)C=C(C=C3)C(F)(F)F)C#N

Isomeric SMILES

CCC1C2=CC=C(N2C3=C(N1S(=O)(=O)C4=CC(=C(C=C4)O)C)C=C(C=C3)C(F)(F)F)C#N

InChI

InChI=1S/C22H18F3N3O3S/c1-3-17-18-8-5-15(12-26)27(18)19-7-4-14(22(23,24)25)11-20(19)28(17)32(30,31)16-6-9-21(29)13(2)10-16/h4-11,17,29H,3H2,1-2H3