7-[methylsulfonyl-[(E)-3-phenylprop-2-enyl]amino]heptanoic acid

Systemtic Name: 7-[methylsulfonyl-[(E)-3-phenylprop-2-enyl]amino]heptanoic acid Openeye Name: 7-[[(E)-cinnamyl]-methylsulfonyl-amino]heptanoic acid CAS Name: 7-[methylsulfonyl-[(E)-3-phenylprop-2-enyl]amino]heptanoic acid IUPAC Name: 7-[methylsulfonyl-[(E)-3-phenylprop-2-enyl]amino]heptanoic acid Traditional Name: 7-[[(E)-cinnamyl]-mesyl-amino]enanthic acid Formula: C17H25NO4S MolecularWeight: 339.4497

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCCCCC(=O)O)CC=CC1=CC=CC=C1

Isomeric SMILES

CS(=O)(=O)N(CCCCCCC(=O)O)C/C=C/C1=CC=CC=C1

InChI

InChI=1S/C17H25NO4S/c1-23(21,22)18(14-8-3-2-7-13-17(19)20)15-9-12-16-10-5-4-6-11-16/h4-6,9-12H,2-3,7-8,13-15H2,1H3,(H,19,20)/b12-9+