2-[3-[[(4-pentylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[[(4-pentylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[(4-pentylphenyl)methyl-(3-pyridylsulfonyl)amino]methyl]phenyl]acetic acid CAS Name: 2-[3-[[(4-pentylphenyl)methyl-(3-pyridinylsulfonyl)amino]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[(4-pentylphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[(4-amylbenzyl)-(3-pyridylsulfonyl)amino]methyl]phenyl]acetic acid Formula: C26H30N2O4S MolecularWeight: 466.5924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)CN(CC2=CC=CC(=C2)CC(=O)O)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CCCCCC1=CC=C(C=C1)CN(CC2=CC=CC(=C2)CC(=O)O)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C26H30N2O4S/c1-2-3-4-7-21-11-13-22(14-12-21)19-28(33(31,32)25-10-6-15-27-18-25)20-24-9-5-8-23(16-24)17-26(29)30/h5-6,8-16,18H,2-4,7,17,19-20H2,1H3,(H,29,30)