3-(4-fluoranylphenoxy)propyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: 3-(4-fluoranylphenoxy)propyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: 3-(4-fluorophenoxy)propyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid 3-(4-fluorophenoxy)propyl ester IUPAC Name: 3-(4-fluorophenoxy)propyl 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid 3-(4-fluorophenoxy)propyl ester Formula: C18H19FN2O7S2 MolecularWeight: 458.481063

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCCCOC2=CC=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCCCOC2=CC=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C18H19FN2O7S2/c1-29-17-8-7-15(11-16(17)21(23)24)30(25,26)20-12-18(22)28-10-2-9-27-14-5-3-13(19)4-6-14/h3-8,11,20H,2,9-10,12H2,1H3