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

Systemtic Name: 4-ethyl-7-fluoranyl-5-(3-methyl-4-oxidanyl-phenyl)sulfonyl-4H-pyrrolo[1,2-a]quinoxaline-1-carbonitrile Openeye Name: 4-ethyl-7-fluoro-5-(4-hydroxy-3-methyl-phenyl)sulfonyl-4H-pyrrolo[1,2-a]quinoxaline-1-carbonitrile CAS Name: 4-ethyl-7-fluoro-5-(4-hydroxy-3-methylphenyl)sulfonyl-4H-pyrrolo[1,2-a]quinoxaline-1-carbonitrile IUPAC Name: 4-ethyl-7-fluoro-5-(4-hydroxy-3-methylphenyl)sulfonyl-4H-pyrrolo[1,2-a]quinoxaline-1-carbonitrile Traditional Name: 4-ethyl-7-fluoro-5-(4-hydroxy-3-methyl-phenyl)sulfonyl-4H-pyrrolo[1,2-a]quinoxaline-1-carbonitrile Formula: C21H18FN3O3S MolecularWeight: 411.449323

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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)F)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H18FN3O3S/c1-3-17-18-8-5-15(12-23)24(18)19-7-4-14(22)11-20(19)25(17)29(27,28)16-6-9-21(26)13(2)10-16/h4-11,17,26H,3H2,1-2H3