7-[[(E)-3-[3-(hydroxymethyl)phenyl]prop-2-enyl]-methylsulfonyl-amino]heptanoic acid

Systemtic Name: 7-[[(E)-3-[3-(hydroxymethyl)phenyl]prop-2-enyl]-methylsulfonyl-amino]heptanoic acid Openeye Name: 7-[[(E)-3-[3-(hydroxymethyl)phenyl]allyl]-methylsulfonyl-amino]heptanoic acid CAS Name: 7-[[(E)-3-[3-(hydroxymethyl)phenyl]prop-2-enyl]-methylsulfonylamino]heptanoic acid IUPAC Name: 7-[[(E)-3-[3-(hydroxymethyl)phenyl]prop-2-enyl]-methylsulfonylamino]heptanoic acid Traditional Name: 7-[mesyl-[(E)-3-(3-methylolphenyl)allyl]amino]enanthic acid Formula: C18H27NO5S MolecularWeight: 369.47568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO5S/c1-25(23,24)19(12-5-3-2-4-11-18(21)22)13-7-10-16-8-6-9-17(14-16)15-20/h6-10,14,20H,2-5,11-13,15H2,1H3,(H,21,22)/b10-7+