8-[(4-chlorophenyl)sulfonylamino]-4-[(E)-3-pyridin-3-ylprop-2-enyl]octanoic acid

Systemtic Name: 8-[(4-chlorophenyl)sulfonylamino]-4-[(E)-3-pyridin-3-ylprop-2-enyl]octanoic acid Openeye Name: 8-[(4-chlorophenyl)sulfonylamino]-4-[(E)-3-(3-pyridyl)allyl]octanoic acid CAS Name: 8-[(4-chlorophenyl)sulfonylamino]-4-[(E)-3-(3-pyridinyl)prop-2-enyl]octanoic acid IUPAC Name: 8-[(4-chlorophenyl)sulfonylamino]-4-[(E)-3-pyridin-3-ylprop-2-enyl]octanoic acid Traditional Name: (E)-4-[4-[(4-chlorophenyl)sulfonylamino]butyl]-7-(3-pyridyl)hept-6-enoic acid Formula: C22H27ClN2O4S MolecularWeight: 450.97878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=CN=C1)/C=C/CC(CCCCNS(=O)(=O)C2=CC=C(C=C2)Cl)CCC(=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/h3-4,7-8,10-13,15,17-18,25H,1-2,5-6,9,14,16H2,(H,26,27)/b7-3+