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

Systemtic Name: 3-[2-azanyl-3-(4-methylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-1-yl]propyl thiophene-2-carboxylate Openeye Name: 3-[2-amino-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]propyl thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic 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 thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid 3-(2-amino-3-tosyl-pyrrolo[3,2-b]quinoxalin-1-yl)propyl ester Formula: C25H22N4O4S2 MolecularWeight: 506.59658

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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=CS5)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CCCOC(=O)C5=CC=CS5)N

InChI

InChI=1S/C25H22N4O4S2/c1-16-9-11-17(12-10-16)35(31,32)22-21-24(28-19-7-3-2-6-18(19)27-21)29(23(22)26)13-5-14-33-25(30)20-8-4-15-34-20/h2-4,6-12,15H,5,13-14,26H2,1H3