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

Systemtic Name: 3-[2-azanyl-3-(phenylsulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]propyl 2-fluoranylbenzoate Openeye Name: 3-[2-amino-3-(benzenesulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]propyl 2-fluorobenzoate CAS Name: 2-fluorobenzoic acid 3-[2-amino-3-(benzenesulfonyl)-1-pyrrolo[3,2-b]quinoxalinyl]propyl ester IUPAC Name: 3-[2-amino-3-(benzenesulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]propyl 2-fluorobenzoate Traditional Name: 2-fluorobenzoic acid 3-(2-amino-3-besyl-pyrrolo[3,2-b]quinoxalin-1-yl)propyl ester Formula: C26H21FN4O4S MolecularWeight: 504.532743

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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)CCCOC(=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)CCCOC(=O)C5=CC=CC=C5F)N

InChI

InChI=1S/C26H21FN4O4S/c27-19-12-5-4-11-18(19)26(32)35-16-8-15-31-24(28)23(36(33,34)17-9-2-1-3-10-17)22-25(31)30-21-14-7-6-13-20(21)29-22/h1-7,9-14H,8,15-16,28H2