8-[[4-(1-oxidanylhexyl)phenyl]-(phenylsulfonyl)amino]octanoic acid

Systemtic Name: 8-[[4-(1-oxidanylhexyl)phenyl]-(phenylsulfonyl)amino]octanoic acid Openeye Name: 8-[N-(benzenesulfonyl)-4-(1-hydroxyhexyl)anilino]octanoic acid CAS Name: 8-[N-(benzenesulfonyl)-4-(1-hydroxyhexyl)anilino]octanoic acid IUPAC Name: 8-[N-(benzenesulfonyl)-4-(1-hydroxyhexyl)anilino]octanoic acid Traditional Name: 8-[N-besyl-4-(1-hydroxyhexyl)anilino]caprylic acid Formula: C26H37NO5S MolecularWeight: 475.64068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC=C(C=C1)N(CCCCCCCC(=O)O)S(=O)(=O)C2=CC=CC=C2)O

Isomeric SMILES

CCCCCC(C1=CC=C(C=C1)N(CCCCCCCC(=O)O)S(=O)(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C26H37NO5S/c1-2-3-8-15-25(28)22-17-19-23(20-18-22)27(21-12-6-4-5-11-16-26(29)30)33(31,32)24-13-9-7-10-14-24/h7,9-10,13-14,17-20,25,28H,2-6,8,11-12,15-16,21H2,1H3,(H,29,30)