2-(4-sulfamoylphenoxy)ethyl 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: 2-(4-sulfamoylphenoxy)ethyl 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: 2-(4-sulfamoylphenoxy)ethyl 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid 2-(4-sulfamoylphenoxy)ethyl ester IUPAC Name: 2-(4-sulfamoylphenoxy)ethyl 1-benzyl-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylic acid 2-(4-sulfamoylphenoxy)ethyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)OCCOC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)OCCOC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H23N3O5S/c1-15-20(16(2)24(23-15)14-17-6-4-3-5-7-17)21(25)29-13-12-28-18-8-10-19(11-9-18)30(22,26)27/h3-11H,12-14H2,1-2H3,(H2,22,26,27)