8-(phenylsulfonylamino)-4-(3-pyridin-3-ylpropyl)octanoic acid

Systemtic Name: 8-(phenylsulfonylamino)-4-(3-pyridin-3-ylpropyl)octanoic acid Openeye Name: 8-(benzenesulfonamido)-4-[3-(3-pyridyl)propyl]octanoic acid CAS Name: 8-(benzenesulfonamido)-4-[3-(3-pyridinyl)propyl]octanoic acid IUPAC Name: 8-(benzenesulfonamido)-4-(3-pyridin-3-ylpropyl)octanoic acid Traditional Name: 8-(benzenesulfonamido)-4-[3-(3-pyridyl)propyl]caprylic acid Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NCCCCC(CCCC2=CN=CC=C2)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NCCCCC(CCCC2=CN=CC=C2)CCC(=O)O

InChI

InChI=1S/C22H30N2O4S/c25-22(26)15-14-19(9-6-10-20-11-7-16-23-18-20)8-4-5-17-24-29(27,28)21-12-2-1-3-13-21/h1-3,7,11-13,16,18-19,24H,4-6,8-10,14-15,17H2,(H,25,26)