7-[[4-(1-oxidanylhexyl)phenyl]methyl-pyridin-3-ylsulfonyl-amino]heptanoic acid

Systemtic Name: 7-[[4-(1-oxidanylhexyl)phenyl]methyl-pyridin-3-ylsulfonyl-amino]heptanoic acid Openeye Name: 7-[[4-(1-hydroxyhexyl)phenyl]methyl-(3-pyridylsulfonyl)amino]heptanoic acid CAS Name: 7-[[4-(1-hydroxyhexyl)phenyl]methyl-(3-pyridinylsulfonyl)amino]heptanoic acid IUPAC Name: 7-[[4-(1-hydroxyhexyl)phenyl]methyl-pyridin-3-ylsulfonylamino]heptanoic acid Traditional Name: 7-[[4-(1-hydroxyhexyl)benzyl]-(3-pyridylsulfonyl)amino]enanthic acid Formula: C25H36N2O5S MolecularWeight: 476.62874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC=C(C=C1)CN(CCCCCCC(=O)O)S(=O)(=O)C2=CN=CC=C2)O

Isomeric SMILES

CCCCCC(C1=CC=C(C=C1)CN(CCCCCCC(=O)O)S(=O)(=O)C2=CN=CC=C2)O

InChI

InChI=1S/C25H36N2O5S/c1-2-3-6-11-24(28)22-15-13-21(14-16-22)20-27(18-8-5-4-7-12-25(29)30)33(31,32)23-10-9-17-26-19-23/h9-10,13-17,19,24,28H,2-8,11-12,18,20H2,1H3,(H,29,30)