ethyl 4-[[(4-fluoranyl-3-methyl-phenyl)sulfonyl-(pyridin-4-ylmethyl)amino]methyl]benzoate

Systemtic Name: ethyl 4-[[(4-fluoranyl-3-methyl-phenyl)sulfonyl-(pyridin-4-ylmethyl)amino]methyl]benzoate Openeye Name: ethyl 4-[[(4-fluoro-3-methyl-phenyl)sulfonyl-(4-pyridylmethyl)amino]methyl]benzoate CAS Name: 4-[[(4-fluoro-3-methylphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(4-fluoro-3-methylphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]methyl]benzoate Traditional Name: 4-[[(4-fluoro-3-methyl-phenyl)sulfonyl-(4-pyridylmethyl)amino]methyl]benzoic acid ethyl ester Formula: C23H23FN2O4S MolecularWeight: 442.503123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CN(CC2=CC=NC=C2)S(=O)(=O)C3=CC(=C(C=C3)F)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CN(CC2=CC=NC=C2)S(=O)(=O)C3=CC(=C(C=C3)F)C

InChI

InChI=1S/C23H23FN2O4S/c1-3-30-23(27)20-6-4-18(5-7-20)15-26(16-19-10-12-25-13-11-19)31(28,29)21-8-9-22(24)17(2)14-21/h4-14H,3,15-16H2,1-2H3