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

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid (3-morpholinosulfonylbenzyl) ester Formula: C24H26N2O5S MolecularWeight: 454.53864

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C24H26N2O5S/c1-3-21-17(2)23(20-9-4-5-10-22(20)25-21)24(27)31-16-18-7-6-8-19(15-18)32(28,29)26-11-13-30-14-12-26/h4-10,15H,3,11-14,16H2,1-2H3