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

Systemtic Name: 4-[[(4-acetamidophenyl)sulfonyl-(pyridin-4-ylmethyl)amino]methyl]benzoic acid Openeye Name: 4-[[(4-acetamidophenyl)sulfonyl-(4-pyridylmethyl)amino]methyl]benzoic acid CAS Name: 4-[[(4-acetamidophenyl)sulfonyl-(pyridin-4-ylmethyl)amino]methyl]benzoic acid IUPAC Name: 4-[[(4-acetamidophenyl)sulfonyl-(pyridin-4-ylmethyl)amino]methyl]benzoic acid Traditional Name: 4-[[(4-acetamidophenyl)sulfonyl-(4-pyridylmethyl)amino]methyl]benzoic acid Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C(=O)O)CC3=CC=NC=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C(=O)O)CC3=CC=NC=C3

InChI

InChI=1S/C22H21N3O5S/c1-16(26)24-20-6-8-21(9-7-20)31(29,30)25(15-18-10-12-23-13-11-18)14-17-2-4-19(5-3-17)22(27)28/h2-13H,14-15H2,1H3,(H,24,26)(H,27,28)