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

Systemtic Name: 3-[2-azanyl-3-(phenylsulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]propyl 3-nitrobenzoate Openeye Name: 3-[2-amino-3-(benzenesulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]propyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic 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 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid 3-(2-amino-3-besyl-pyrrolo[3,2-b]quinoxalin-1-yl)propyl ester Formula: C26H21N5O6S MolecularWeight: 531.53984

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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=C5)[N+](=O)[O-])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=C5)[N+](=O)[O-])N

InChI

InChI=1S/C26H21N5O6S/c27-24-23(38(35,36)19-10-2-1-3-11-19)22-25(29-21-13-5-4-12-20(21)28-22)30(24)14-7-15-37-26(32)17-8-6-9-18(16-17)31(33)34/h1-6,8-13,16H,7,14-15,27H2