3-[2-azanyl-3-(4-methylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-1-yl]propyl 3-nitrobenzoate

Systemtic Name: 3-[2-azanyl-3-(4-methylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-1-yl]propyl 3-nitrobenzoate Openeye Name: 3-[2-amino-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]propyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid 3-[2-amino-3-(4-methylphenyl)sulfonyl-1-pyrrolo[3,2-b]quinoxalinyl]propyl ester IUPAC Name: 3-[2-amino-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-1-yl]propyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid 3-(2-amino-3-tosyl-pyrrolo[3,2-b]quinoxalin-1-yl)propyl ester Formula: C27H23N5O6S MolecularWeight: 545.56642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C27H23N5O6S/c1-17-10-12-20(13-11-17)39(36,37)24-23-26(30-22-9-3-2-8-21(22)29-23)31(25(24)28)14-5-15-38-27(33)18-6-4-7-19(16-18)32(34)35/h2-4,6-13,16H,5,14-15,28H2,1H3