1-[(E)-(4-fluorophenyl)methylideneamino]-3-thiophen-2-ylsulfonyl-pyrrolo[3,2-b]quinoxalin-2-amine

Systemtic Name: 1-[(E)-(4-fluorophenyl)methylideneamino]-3-thiophen-2-ylsulfonyl-pyrrolo[3,2-b]quinoxalin-2-amine Openeye Name: 1-[(E)-(4-fluorophenyl)methyleneamino]-3-(2-thienylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-amine CAS Name: 1-[(E)-(4-fluorophenyl)methylideneamino]-3-thiophen-2-ylsulfonyl-2-pyrrolo[3,2-b]quinoxalinamine IUPAC Name: 1-[(E)-(4-fluorophenyl)methylideneamino]-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine Traditional Name: [1-[(E)-(4-fluorobenzylidene)amino]-3-(2-thienylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]amine Formula: C21H14FN5O2S2 MolecularWeight: 451.496563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C3C(=C(N(C3=N2)N=CC4=CC=C(C=C4)F)N)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1=CC=C2C(=C1)N=C3C(=C(N(C3=N2)/N=C/C4=CC=C(C=C4)F)N)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C21H14FN5O2S2/c22-14-9-7-13(8-10-14)12-24-27-20(23)19(31(28,29)17-6-3-11-30-17)18-21(27)26-16-5-2-1-4-15(16)25-18/h1-12H,23H2/b24-12+