2-[2-azanyl-3-(phenylsulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]ethyl 2-fluoranylbenzoate

Systemtic Name: 2-[2-azanyl-3-(phenylsulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]ethyl 2-fluoranylbenzoate Openeye Name: 2-[2-amino-3-(benzenesulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]ethyl 2-fluorobenzoate CAS Name: 2-fluorobenzoic acid 2-[2-amino-3-(benzenesulfonyl)-1-pyrrolo[3,2-b]quinoxalinyl]ethyl ester IUPAC Name: 2-[2-amino-3-(benzenesulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]ethyl 2-fluorobenzoate Traditional Name: 2-fluorobenzoic acid 2-(2-amino-3-besyl-pyrrolo[3,2-b]quinoxalin-1-yl)ethyl ester Formula: C25H19FN4O4S MolecularWeight: 490.506163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CCOC(=O)C5=CC=CC=C5F)N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CCOC(=O)C5=CC=CC=C5F)N

InChI

InChI=1S/C25H19FN4O4S/c26-18-11-5-4-10-17(18)25(31)34-15-14-30-23(27)22(35(32,33)16-8-2-1-3-9-16)21-24(30)29-20-13-7-6-12-19(20)28-21/h1-13H,14-15,27H2