7-[methylsulfonyl-[5-(3-nitrophenoxy)-4-oxidanyl-pentyl]amino]heptanoic acid

Systemtic Name: 7-[methylsulfonyl-[5-(3-nitrophenoxy)-4-oxidanyl-pentyl]amino]heptanoic acid Openeye Name: 7-[[4-hydroxy-5-(3-nitrophenoxy)pentyl]-methylsulfonyl-amino]heptanoic acid CAS Name: 7-[[4-hydroxy-5-(3-nitrophenoxy)pentyl]-methylsulfonylamino]heptanoic acid IUPAC Name: 7-[[4-hydroxy-5-(3-nitrophenoxy)pentyl]-methylsulfonylamino]heptanoic acid Traditional Name: 7-[[4-hydroxy-5-(3-nitrophenoxy)pentyl]-mesyl-amino]enanthic acid Formula: C19H30N2O8S MolecularWeight: 446.5151

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCCCCC(=O)O)CCCC(COC1=CC=CC(=C1)[N+](=O)[O-])O

Isomeric SMILES

CS(=O)(=O)N(CCCCCCC(=O)O)CCCC(COC1=CC=CC(=C1)[N+](=O)[O-])O

InChI

InChI=1S/C19H30N2O8S/c1-30(27,28)20(12-5-3-2-4-11-19(23)24)13-7-9-17(22)15-29-18-10-6-8-16(14-18)21(25)26/h6,8,10,14,17,22H,2-5,7,9,11-13,15H2,1H3,(H,23,24)