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

Systemtic Name: (E)-8-[(4-chlorophenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)oct-2-enoic acid Openeye Name: (E)-8-[(4-chlorophenyl)sulfonylamino]-4-[3-(3-pyridyl)propyl]oct-2-enoic acid CAS Name: (E)-8-[(4-chlorophenyl)sulfonylamino]-4-[3-(3-pyridinyl)propyl]-2-octenoic acid IUPAC Name: (E)-8-[(4-chlorophenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)oct-2-enoic acid Traditional Name: (E)-8-[(4-chlorophenyl)sulfonylamino]-4-[3-(3-pyridyl)propyl]oct-2-enoic acid Formula: C22H27ClN2O4S MolecularWeight: 450.97878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CCCC(CCCCNS(=O)(=O)C2=CC=C(C=C2)Cl)C=CC(=O)O

Isomeric SMILES

C1=CC(=CN=C1)CCCC(CCCCNS(=O)(=O)C2=CC=C(C=C2)Cl)/C=C/C(=O)O

InChI

InChI=1S/C22H27ClN2O4S/c23-20-10-12-21(13-11-20)30(28,29)25-16-2-1-5-18(9-14-22(26)27)6-3-7-19-8-4-15-24-17-19/h4,8-15,17-18,25H,1-3,5-7,16H2,(H,26,27)/b14-9+