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

Systemtic Name: ethyl 4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-sulfamoyl]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CC2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C22H25N3O4S/c1-5-29-22(26)18-11-13-20(14-12-18)30(27,28)24(4)15-21-16(2)23-25(17(21)3)19-9-7-6-8-10-19/h6-14H,5,15H2,1-4H3