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

Systemtic Name: 3-[2-azanyl-3-(phenylsulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]propyl cyclohexanecarboxylate Openeye Name: 3-[2-amino-3-(benzenesulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]propyl cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic 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 cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid 3-(2-amino-3-besyl-pyrrolo[3,2-b]quinoxalin-1-yl)propyl ester Formula: C26H28N4O4S MolecularWeight: 492.58992

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)OCCCN2C(=C(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=CC=CC=C5)N

Isomeric SMILES

C1CCC(CC1)C(=O)OCCCN2C(=C(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=CC=CC=C5)N

InChI

InChI=1S/C26H28N4O4S/c27-24-23(35(32,33)19-12-5-2-6-13-19)22-25(29-21-15-8-7-14-20(21)28-22)30(24)16-9-17-34-26(31)18-10-3-1-4-11-18/h2,5-8,12-15,18H,1,3-4,9-11,16-17,27H2