8-(phenylsulfonylamino)-5-(2-pyridin-3-ylethyl)octanoic acid

Systemtic Name: 8-(phenylsulfonylamino)-5-(2-pyridin-3-ylethyl)octanoic acid Openeye Name: 8-(benzenesulfonamido)-5-[2-(3-pyridyl)ethyl]octanoic acid CAS Name: 8-(benzenesulfonamido)-5-[2-(3-pyridinyl)ethyl]octanoic acid IUPAC Name: 8-(benzenesulfonamido)-5-(2-pyridin-3-ylethyl)octanoic acid Traditional Name: 8-(benzenesulfonamido)-5-[2-(3-pyridyl)ethyl]caprylic acid Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NCCCC(CCCC(=O)O)CCC2=CN=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NCCCC(CCCC(=O)O)CCC2=CN=CC=C2

InChI

InChI=1S/C21H28N2O4S/c24-21(25)12-4-7-18(13-14-19-9-5-15-22-17-19)8-6-16-23-28(26,27)20-10-2-1-3-11-20/h1-3,5,9-11,15,17-18,23H,4,6-8,12-14,16H2,(H,24,25)