ethyl 4-[[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]methyl]benzoate

Systemtic Name: ethyl 4-[[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]methyl]benzoate Openeye Name: ethyl 4-[[(4-methoxyphenyl)sulfonyl-(4-pyridylmethyl)amino]methyl]benzoate CAS Name: 4-[[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]methyl]benzoate Traditional Name: 4-[[(4-methoxyphenyl)sulfonyl-(4-pyridylmethyl)amino]methyl]benzoic acid ethyl ester Formula: C23H24N2O5S MolecularWeight: 440.51206

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O5S/c1-3-30-23(26)20-6-4-18(5-7-20)16-25(17-19-12-14-24-15-13-19)31(27,28)22-10-8-21(29-2)9-11-22/h4-15H,3,16-17H2,1-2H3