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

Systemtic Name: 3-[2-azanyl-3-(4-chlorophenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-1-yl]propyl 3-phenylpropanoate Openeye Name: 3-[2-amino-3-(4-chlorophenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-1-yl]propyl 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid 3-[2-amino-3-(4-chlorophenyl)sulfonyl-1-pyrrolo[3,2-b]quinoxalinyl]propyl ester IUPAC Name: 3-[2-amino-3-(4-chlorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-1-yl]propyl 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid 3-[2-amino-3-(4-chlorophenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-1-yl]propyl ester Formula: C28H25ClN4O4S MolecularWeight: 549.0405

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)OCCCN2C(=C(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=CC=C(C=C5)Cl)N

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)OCCCN2C(=C(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=CC=C(C=C5)Cl)N

InChI

InChI=1S/C28H25ClN4O4S/c29-20-12-14-21(15-13-20)38(35,36)26-25-28(32-23-10-5-4-9-22(23)31-25)33(27(26)30)17-6-18-37-24(34)16-11-19-7-2-1-3-8-19/h1-5,7-10,12-15H,6,11,16-18,30H2