[3-[5-[(5-fluoranyl-2-methyl-phenoxy)methyl]-2,2,4-trimethyl-3-oxidanylidene-1H-quinoxalin-6-yl]-2-methoxy-6-morpholin-4-yl-phenyl] propane-1-sulfonate

Systemtic Name: [3-[5-[(5-fluoranyl-2-methyl-phenoxy)methyl]-2,2,4-trimethyl-3-oxidanylidene-1H-quinoxalin-6-yl]-2-methoxy-6-morpholin-4-yl-phenyl] propane-1-sulfonate Openeye Name: [3-[5-[(5-fluoro-2-methyl-phenoxy)methyl]-2,2,4-trimethyl-3-oxo-1H-quinoxalin-6-yl]-2-methoxy-6-morpholino-phenyl] propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: [3-[5-[(5-fluoro-2-methylphenoxy)methyl]-2,2,4-trimethyl-3-oxo-1H-quinoxalin-6-yl]-2-methoxy-6-morpholin-4-ylphenyl] propane-1-sulfonate Traditional Name: propane-1-sulfonic acid [3-[5-[(5-fluoro-2-methyl-phenoxy)methyl]-3-keto-2,2,4-trimethyl-1H-quinoxalin-6-yl]-2-methoxy-6-morpholino-phenyl] ester Formula: C33H40FN3O7S MolecularWeight: 641.750003

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)OC1=C(C=CC(=C1OC)C2=C(C3=C(C=C2)NC(C(=O)N3C)(C)C)COC4=C(C=CC(=C4)F)C)N5CCOCC5

Isomeric SMILES

CCCS(=O)(=O)OC1=C(C=CC(=C1OC)C2=C(C3=C(C=C2)NC(C(=O)N3C)(C)C)COC4=C(C=CC(=C4)F)C)N5CCOCC5

InChI

InChI=1S/C33H40FN3O7S/c1-7-18-45(39,40)44-31-27(37-14-16-42-17-15-37)13-11-24(30(31)41-6)23-10-12-26-29(36(5)32(38)33(3,4)35-26)25(23)20-43-28-19-22(34)9-8-21(28)2/h8-13,19,35H,7,14-18,20H2,1-6H3