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

Systemtic Name: 3-[2-azanyl-3-(phenylsulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]propyl thiophene-2-carboxylate Openeye Name: 3-[2-amino-3-(benzenesulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]propyl thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic 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 thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid 3-(2-amino-3-besyl-pyrrolo[3,2-b]quinoxalin-1-yl)propyl ester Formula: C24H20N4O4S2 MolecularWeight: 492.57

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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=CS5)N

Isomeric SMILES

C1=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/C24H20N4O4S2/c25-22-21(34(30,31)16-8-2-1-3-9-16)20-23(27-18-11-5-4-10-17(18)26-20)28(22)13-7-14-32-24(29)19-12-6-15-33-19/h1-6,8-12,15H,7,13-14,25H2