7-[methylsulfonyl-(4-oxidanyl-5-phenylmethoxy-pentyl)amino]heptanoic acid

Systemtic Name: 7-[methylsulfonyl-(4-oxidanyl-5-phenylmethoxy-pentyl)amino]heptanoic acid Openeye Name: 7-[(5-benzyloxy-4-hydroxy-pentyl)-methylsulfonyl-amino]heptanoic acid CAS Name: 7-[(4-hydroxy-5-phenylmethoxypentyl)-methylsulfonylamino]heptanoic acid IUPAC Name: 7-[(4-hydroxy-5-phenylmethoxypentyl)-methylsulfonylamino]heptanoic acid Traditional Name: 7-[(5-benzoxy-4-hydroxy-pentyl)-mesyl-amino]enanthic acid Formula: C20H33NO6S MolecularWeight: 415.54412

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCCCCC(=O)O)CCCC(COCC1=CC=CC=C1)O

Isomeric SMILES

CS(=O)(=O)N(CCCCCCC(=O)O)CCCC(COCC1=CC=CC=C1)O

InChI

InChI=1S/C20H33NO6S/c1-28(25,26)21(14-8-3-2-7-13-20(23)24)15-9-12-19(22)17-27-16-18-10-5-4-6-11-18/h4-6,10-11,19,22H,2-3,7-9,12-17H2,1H3,(H,23,24)