(3-morpholin-4-ylsulfonylphenyl)methyl quinoline-2-carboxylate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl quinoline-2-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl quinoline-2-carboxylate Traditional Name: quinaldic acid (3-morpholinosulfonylbenzyl) ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H20N2O5S/c24-21(20-9-8-17-5-1-2-7-19(17)22-20)28-15-16-4-3-6-18(14-16)29(25,26)23-10-12-27-13-11-23/h1-9,14H,10-13,15H2