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

Systemtic Name: 2-(4-cyanophenoxy)ethyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: 2-(4-cyanophenoxy)ethyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid 2-(4-cyanophenoxy)ethyl ester IUPAC Name: 2-(4-cyanophenoxy)ethyl 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid 2-(4-cyanophenoxy)ethyl ester Formula: C18H17N3O7S2 MolecularWeight: 451.47348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCCOC2=CC=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCCOC2=CC=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O7S2/c1-29-17-7-6-15(10-16(17)21(23)24)30(25,26)20-12-18(22)28-9-8-27-14-4-2-13(11-19)3-5-14/h2-7,10,20H,8-9,12H2,1H3