7-[[4-(1-oxidanylhexyl)phenyl]methyl-(phenylsulfonyl)amino]heptanoic acid

Systemtic Name: 7-[[4-(1-oxidanylhexyl)phenyl]methyl-(phenylsulfonyl)amino]heptanoic acid Openeye Name: 7-[benzenesulfonyl-[[4-(1-hydroxyhexyl)phenyl]methyl]amino]heptanoic acid CAS Name: 7-[benzenesulfonyl-[[4-(1-hydroxyhexyl)phenyl]methyl]amino]heptanoic acid IUPAC Name: 7-[benzenesulfonyl-[[4-(1-hydroxyhexyl)phenyl]methyl]amino]heptanoic acid Traditional Name: 7-[besyl-[4-(1-hydroxyhexyl)benzyl]amino]enanthic acid Formula: C26H37NO5S MolecularWeight: 475.64068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37NO5S/c1-2-3-7-14-25(28)23-18-16-22(17-19-23)21-27(20-11-5-4-10-15-26(29)30)33(31,32)24-12-8-6-9-13-24/h6,8-9,12-13,16-19,25,28H,2-5,7,10-11,14-15,20-21H2,1H3,(H,29,30)