ethyl 7-[methylsulfonyl-[5-(3-nitrophenoxy)-4-oxidanyl-pentyl]amino]heptanoate

Systemtic Name: ethyl 7-[methylsulfonyl-[5-(3-nitrophenoxy)-4-oxidanyl-pentyl]amino]heptanoate Openeye Name: ethyl 7-[[4-hydroxy-5-(3-nitrophenoxy)pentyl]-methylsulfonyl-amino]heptanoate CAS Name: 7-[[4-hydroxy-5-(3-nitrophenoxy)pentyl]-methylsulfonylamino]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[[4-hydroxy-5-(3-nitrophenoxy)pentyl]-methylsulfonylamino]heptanoate Traditional Name: 7-[[4-hydroxy-5-(3-nitrophenoxy)pentyl]-mesyl-amino]enanthic acid ethyl ester Formula: C21H34N2O8S MolecularWeight: 474.56826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCN(CCCC(COC1=CC=CC(=C1)[N+](=O)[O-])O)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)CCCCCCN(CCCC(COC1=CC=CC(=C1)[N+](=O)[O-])O)S(=O)(=O)C

InChI

InChI=1S/C21H34N2O8S/c1-3-30-21(25)13-6-4-5-7-14-22(32(2,28)29)15-9-11-19(24)17-31-20-12-8-10-18(16-20)23(26)27/h8,10,12,16,19,24H,3-7,9,11,13-15,17H2,1-2H3