(3-quinoxalin-2-ylphenyl) 4-methyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (3-quinoxalin-2-ylphenyl) 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (3-quinoxalin-2-ylphenyl) 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [3-(2-quinoxalinyl)phenyl] ester IUPAC Name: (3-quinoxalin-2-ylphenyl) 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid (3-quinoxalin-2-ylphenyl) ester Formula: C26H23N3O5S MolecularWeight: 489.54292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)C3=NC4=CC=CC=C4N=C3)S(=O)(=O)N5CCOCC5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)C3=NC4=CC=CC=C4N=C3)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C26H23N3O5S/c1-18-9-10-20(16-25(18)35(31,32)29-11-13-33-14-12-29)26(30)34-21-6-4-5-19(15-21)24-17-27-22-7-2-3-8-23(22)28-24/h2-10,15-17H,11-14H2,1H3