methyl 3-[2-nitro-4-[(4-sulfamoylphenyl)carbamoyl]phenyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-nitro-4-[(4-sulfamoylphenyl)carbamoyl]phenyl]sulfanylpropanoate Openeye Name: methyl 3-[2-nitro-4-[(4-sulfamoylphenyl)carbamoyl]phenyl]sulfanylpropanoate CAS Name: 3-[[2-nitro-4-[oxo-(4-sulfamoylanilino)methyl]phenyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-nitro-4-[(4-sulfamoylphenyl)carbamoyl]phenyl]sulfanylpropanoate Traditional Name: 3-[[2-nitro-4-[(4-sulfamoylphenyl)carbamoyl]phenyl]thio]propionic acid methyl ester Formula: C17H17N3O7S2 MolecularWeight: 439.46278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCSC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O7S2/c1-27-16(21)8-9-28-15-7-2-11(10-14(15)20(23)24)17(22)19-12-3-5-13(6-4-12)29(18,25)26/h2-7,10H,8-9H2,1H3,(H,19,22)(H2,18,25,26)