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

Systemtic Name: (E)-8-[(4-methylsulfonylphenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)oct-2-enoic acid Openeye Name: (E)-8-[(4-methylsulfonylphenyl)sulfonylamino]-4-[3-(3-pyridyl)propyl]oct-2-enoic acid CAS Name: (E)-8-[(4-methylsulfonylphenyl)sulfonylamino]-4-[3-(3-pyridinyl)propyl]-2-octenoic acid IUPAC Name: (E)-8-[(4-methylsulfonylphenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)oct-2-enoic acid Traditional Name: (E)-8-[(4-mesylphenyl)sulfonylamino]-4-[3-(3-pyridyl)propyl]oct-2-enoic acid Formula: C23H30N2O6S2 MolecularWeight: 494.6241

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O6S2/c1-32(28,29)21-11-13-22(14-12-21)33(30,31)25-17-3-2-6-19(10-15-23(26)27)7-4-8-20-9-5-16-24-18-20/h5,9-16,18-19,25H,2-4,6-8,17H2,1H3,(H,26,27)/b15-10+