8-[(4-methylphenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)octanoic acid

Systemtic Name: 8-[(4-methylphenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)octanoic acid Openeye Name: 8-(p-tolylsulfonylamino)-4-[3-(3-pyridyl)propyl]octanoic acid CAS Name: 8-[(4-methylphenyl)sulfonylamino]-4-[3-(3-pyridinyl)propyl]octanoic acid IUPAC Name: 8-[(4-methylphenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)octanoic acid Traditional Name: 4-[3-(3-pyridyl)propyl]-8-(tosylamino)caprylic acid Formula: C23H32N2O4S MolecularWeight: 432.57618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCCC(CCCC2=CN=CC=C2)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCCC(CCCC2=CN=CC=C2)CCC(=O)O

InChI

InChI=1S/C23H32N2O4S/c1-19-10-13-22(14-11-19)30(28,29)25-17-3-2-6-20(12-15-23(26)27)7-4-8-21-9-5-16-24-18-21/h5,9-11,13-14,16,18,20,25H,2-4,6-8,12,15,17H2,1H3,(H,26,27)