2-[7-(3-fluoranyl-4-methoxy-phenyl)pyrazolo[4,3-g]quinoxalin-1-yl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[7-(3-fluoranyl-4-methoxy-phenyl)pyrazolo[4,3-g]quinoxalin-1-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[7-(3-fluoro-4-methoxy-phenyl)pyrazolo[4,3-g]quinoxalin-1-yl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[7-(3-fluoro-4-methoxyphenyl)-1-pyrazolo[4,3-g]quinoxalinyl]ethyl ester IUPAC Name: 2-[7-(3-fluoro-4-methoxyphenyl)pyrazolo[4,3-g]quinoxalin-1-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[7-(3-fluoro-4-methoxy-phenyl)pyrazolo[4,3-g]quinoxalin-1-yl]ethyl ester Formula: C25H21FN4O4S MolecularWeight: 492.522043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCN2C3=CC4=NC(=CN=C4C=C3C=N2)C5=CC(=C(C=C5)OC)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCN2C3=CC4=NC(=CN=C4C=C3C=N2)C5=CC(=C(C=C5)OC)F

InChI

InChI=1S/C25H21FN4O4S/c1-16-3-6-19(7-4-16)35(31,32)34-10-9-30-24-13-22-21(12-18(24)14-28-30)27-15-23(29-22)17-5-8-25(33-2)20(26)11-17/h3-8,11-15H,9-10H2,1-2H3