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

Systemtic Name: ethyl 4-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylsulfamoyl]benzoate Openeye Name: ethyl 4-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methylsulfamoyl]benzoate CAS Name: 4-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methylsulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylsulfamoyl]benzoate Traditional Name: 4-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methylsulfamoyl]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)NCC2=C(N(N=C2C)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NCC2=C(N(N=C2C)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H25N3O4S/c1-4-29-22(26)19-10-12-20(13-11-19)30(27,28)23-14-21-16(2)24-25(17(21)3)15-18-8-6-5-7-9-18/h5-13,23H,4,14-15H2,1-3H3