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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NCC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NCC2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

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