(E)-8-[(4-methylphenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)oct-2-enoic acid

Systemtic Name: (E)-8-[(4-methylphenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)oct-2-enoic acid Openeye Name: (E)-8-(p-tolylsulfonylamino)-4-[3-(3-pyridyl)propyl]oct-2-enoic acid CAS Name: (E)-8-[(4-methylphenyl)sulfonylamino]-4-[3-(3-pyridinyl)propyl]-2-octenoic acid IUPAC Name: (E)-8-[(4-methylphenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)oct-2-enoic acid Traditional Name: (E)-4-[3-(3-pyridyl)propyl]-8-(tosylamino)oct-2-enoic acid Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O4S/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/h5,9-16,18,20,25H,2-4,6-8,17H2,1H3,(H,26,27)/b15-12+