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

Systemtic Name: 2-[2-azanyl-3-(phenylsulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]ethyl benzoate Openeye Name: 2-[2-amino-3-(benzenesulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]ethyl benzoate CAS Name: benzoic 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 benzoate Traditional Name: benzoic acid 2-(2-amino-3-besyl-pyrrolo[3,2-b]quinoxalin-1-yl)ethyl ester Formula: C25H20N4O4S MolecularWeight: 472.5157

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCN2C(=C(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=CC=CC=C5)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCN2C(=C(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=CC=CC=C5)N

InChI

InChI=1S/C25H20N4O4S/c26-23-22(34(31,32)18-11-5-2-6-12-18)21-24(28-20-14-8-7-13-19(20)27-21)29(23)15-16-33-25(30)17-9-3-1-4-10-17/h1-14H,15-16,26H2