2-[3-[[[4-(1-oxidanylhexyl)phenyl]methyl-pyridin-3-ylsulfonyl-amino]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[[[4-(1-oxidanylhexyl)phenyl]methyl-pyridin-3-ylsulfonyl-amino]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[[4-(1-hydroxyhexyl)phenyl]methyl-(3-pyridylsulfonyl)amino]methyl]phenyl]acetic acid CAS Name: 2-[3-[[[4-(1-hydroxyhexyl)phenyl]methyl-(3-pyridinylsulfonyl)amino]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[[4-(1-hydroxyhexyl)phenyl]methyl-pyridin-3-ylsulfonylamino]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[[4-(1-hydroxyhexyl)benzyl]-(3-pyridylsulfonyl)amino]methyl]phenyl]acetic acid Formula: C27H32N2O5S MolecularWeight: 496.61838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O5S/c1-2-3-4-10-26(30)24-13-11-21(12-14-24)19-29(35(33,34)25-9-6-15-28-18-25)20-23-8-5-7-22(16-23)17-27(31)32/h5-9,11-16,18,26,30H,2-4,10,17,19-20H2,1H3,(H,31,32)