2-(4-propoxyphenoxy)ethyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: 2-(4-propoxyphenoxy)ethyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: 2-(4-propoxyphenoxy)ethyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid 2-(4-propoxyphenoxy)ethyl ester IUPAC Name: 2-(4-propoxyphenoxy)ethyl 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid 2-(4-propoxyphenoxy)ethyl ester Formula: C20H24N2O8S2 MolecularWeight: 484.54316

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)OCCOC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)OCCOC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C20H24N2O8S2/c1-3-10-28-15-4-6-16(7-5-15)29-11-12-30-20(23)14-21-32(26,27)17-8-9-19(31-2)18(13-17)22(24)25/h4-9,13,21H,3,10-12,14H2,1-2H3