[2-[[5-(dimethylsulfamoyl)-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [2-[[5-(dimethylsulfamoyl)-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-[5-(dimethylsulfamoyl)-2-methoxy-anilino]-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] ester IUPAC Name: [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-[5-(dimethylsulfamoyl)-2-methoxy-anilino]-2-keto-ethyl] ester Formula: C21H22N4O6S MolecularWeight: 458.48758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C21H22N4O6S/c1-24(2)32(28,29)17-9-10-19(30-3)18(13-17)23-20(26)14-31-21(27)15-5-7-16(8-6-15)25-12-4-11-22-25/h4-13H,14H2,1-3H3,(H,23,26)