4-[[(4-ethoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(4-ethoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]methyl]benzoic acid Openeye Name: 4-[[(4-ethoxyphenyl)sulfonyl-(3-pyridylmethyl)amino]methyl]benzoic acid CAS Name: 4-[[(4-ethoxyphenyl)sulfonyl-(3-pyridinylmethyl)amino]methyl]benzoic acid IUPAC Name: 4-[[(4-ethoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]methyl]benzoic acid Traditional Name: 4-[[p-phenetylsulfonyl(3-pyridylmethyl)amino]methyl]benzoic acid Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C(=O)O)CC3=CN=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C(=O)O)CC3=CN=CC=C3

InChI

InChI=1S/C22H22N2O5S/c1-2-29-20-9-11-21(12-10-20)30(27,28)24(16-18-4-3-13-23-14-18)15-17-5-7-19(8-6-17)22(25)26/h3-14H,2,15-16H2,1H3,(H,25,26)