methyl 4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-sulfamoyl]benzoate

Systemtic Name: methyl 4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-sulfamoyl]benzoate Openeye Name: methyl 4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-sulfamoyl]benzoate CAS Name: 4-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl-methylsulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylsulfamoyl]benzoate Traditional Name: 4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-sulfamoyl]benzoic acid methyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)S(=O)(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)S(=O)(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H23N3O4S/c1-15-20(16(2)24(22-15)18-8-6-5-7-9-18)14-23(3)29(26,27)19-12-10-17(11-13-19)21(25)28-4/h5-13H,14H2,1-4H3