(3-morpholin-4-ylsulfonylphenyl)methyl 2-[(4-ethoxyphenyl)amino]pyridine-3-carboxylate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-[(4-ethoxyphenyl)amino]pyridine-3-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl 2-(4-ethoxyanilino)pyridine-3-carboxylate CAS Name: 2-(4-ethoxyanilino)-3-pyridinecarboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-(4-ethoxyanilino)pyridine-3-carboxylate Traditional Name: 2-(p-phenetidino)nicotinic acid (3-morpholinosulfonylbenzyl) ester Formula: C25H27N3O6S MolecularWeight: 497.56338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C25H27N3O6S/c1-2-33-21-10-8-20(9-11-21)27-24-23(7-4-12-26-24)25(29)34-18-19-5-3-6-22(17-19)35(30,31)28-13-15-32-16-14-28/h3-12,17H,2,13-16,18H2,1H3,(H,26,27)