[5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl methanesulfonate

Systemtic Name: [5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl methanesulfonate Openeye Name: [5-(p-tolyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [5-(4-methylphenyl)-1-(4-sulfamoylphenyl)-3-pyrazolyl]methyl ester IUPAC Name: [5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [5-(p-tolyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl ester Formula: C18H19N3O5S2 MolecularWeight: 421.49056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)COS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)COS(=O)(=O)C

InChI

InChI=1S/C18H19N3O5S2/c1-13-3-5-14(6-4-13)18-11-15(12-26-27(2,22)23)20-21(18)16-7-9-17(10-8-16)28(19,24)25/h3-11H,12H2,1-2H3,(H2,19,24,25)