2-(3,5-dimethylphenoxy)ethyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: 2-(3,5-dimethylphenoxy)ethyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid 2-(3,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid 2-(3,5-dimethylphenoxy)ethyl ester Formula: C19H22N2O7S2 MolecularWeight: 454.51718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCOC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCOC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-])C

InChI

InChI=1S/C19H22N2O7S2/c1-13-8-14(2)10-15(9-13)27-6-7-28-19(22)12-20-30(25,26)16-4-5-18(29-3)17(11-16)21(23)24/h4-5,8-11,20H,6-7,12H2,1-3H3