2-(4-sulfamoylphenoxy)ethyl 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate

Systemtic Name: 2-(4-sulfamoylphenoxy)ethyl 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate Openeye Name: 2-(4-sulfamoylphenoxy)ethyl 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoate CAS Name: 4-(4-chloro-3,5-dimethyl-1-pyrazolyl)benzoic acid 2-(4-sulfamoylphenoxy)ethyl ester IUPAC Name: 2-(4-sulfamoylphenoxy)ethyl 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoic acid 2-(4-sulfamoylphenoxy)ethyl ester Formula: C20H20ClN3O5S MolecularWeight: 449.9079

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OCCOC3=CC=C(C=C3)S(=O)(=O)N)C)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OCCOC3=CC=C(C=C3)S(=O)(=O)N)C)Cl

InChI

InChI=1S/C20H20ClN3O5S/c1-13-19(21)14(2)24(23-13)16-5-3-15(4-6-16)20(25)29-12-11-28-17-7-9-18(10-8-17)30(22,26)27/h3-10H,11-12H2,1-2H3,(H2,22,26,27)