(3-morpholin-4-ylsulfonylphenyl)methyl 2-oxidanylidene-1H-quinoline-4-carboxylate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-oxidanylidene-1H-quinoline-4-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl 2-oxo-1H-quinoline-4-carboxylate CAS Name: 2-oxo-1H-quinoline-4-carboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-oxo-1H-quinoline-4-carboxylate Traditional Name: 2-keto-1H-quinoline-4-carboxylic acid (3-morpholinosulfonylbenzyl) ester Formula: C21H20N2O6S MolecularWeight: 428.4583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3=CC(=O)NC4=CC=CC=C43

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3=CC(=O)NC4=CC=CC=C43

InChI

InChI=1S/C21H20N2O6S/c24-20-13-18(17-6-1-2-7-19(17)22-20)21(25)29-14-15-4-3-5-16(12-15)30(26,27)23-8-10-28-11-9-23/h1-7,12-13H,8-11,14H2,(H,22,24)