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

Systemtic Name: 3,4-dimethyl-5-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]benzoate Openeye Name: 3,4-dimethyl-5-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]benzoate CAS Name: 3,4-dimethyl-5-[methyl-[(1-phenyl-4-pyrazolyl)methyl]sulfamoyl]benzoate IUPAC Name: 3,4-dimethyl-5-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]benzoate Traditional Name: 3,4-dimethyl-5-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]benzoate Formula: C20H20N3O4S- MolecularWeight: 398.4555

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)[O-])S(=O)(=O)N(C)CC2=CN(N=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)[O-])S(=O)(=O)N(C)CC2=CN(N=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C20H21N3O4S/c1-14-9-17(20(24)25)10-19(15(14)2)28(26,27)22(3)12-16-11-21-23(13-16)18-7-5-4-6-8-18/h4-11,13H,12H2,1-3H3,(H,24,25)/p-1