ethyl 4-[1-(3-sulfamoylphenyl)ethylsulfamoyl]benzoate

Systemtic Name: ethyl 4-[1-(3-sulfamoylphenyl)ethylsulfamoyl]benzoate Openeye Name: ethyl 4-[1-(3-sulfamoylphenyl)ethylsulfamoyl]benzoate CAS Name: 4-[1-(3-sulfamoylphenyl)ethylsulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[1-(3-sulfamoylphenyl)ethylsulfamoyl]benzoate Traditional Name: 4-[1-(3-sulfamoylphenyl)ethylsulfamoyl]benzoic acid ethyl ester Formula: C17H20N2O6S2 MolecularWeight: 412.4805

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(C)C2=CC(=CC=C2)S(=O)(=O)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(C)C2=CC(=CC=C2)S(=O)(=O)N

InChI

InChI=1S/C17H20N2O6S2/c1-3-25-17(20)13-7-9-15(10-8-13)27(23,24)19-12(2)14-5-4-6-16(11-14)26(18,21)22/h4-12,19H,3H2,1-2H3,(H2,18,21,22)