N-methyl-5-(4-methylsulfonylphenyl)-1-[4-(2-oxidanylideneethylamino)phenyl]pyrazole-3-carboxamide

Systemtic Name: N-methyl-5-(4-methylsulfonylphenyl)-1-[4-(2-oxidanylideneethylamino)phenyl]pyrazole-3-carboxamide Openeye Name: N-methyl-5-(4-methylsulfonylphenyl)-1-[4-(2-oxoethylamino)phenyl]pyrazole-3-carboxamide CAS Name: N-methyl-5-(4-methylsulfonylphenyl)-1-[4-(2-oxoethylamino)phenyl]-3-pyrazolecarboxamide IUPAC Name: N-methyl-5-(4-methylsulfonylphenyl)-1-[4-(2-oxoethylamino)phenyl]pyrazole-3-carboxamide Traditional Name: 1-[4-(2-ketoethylamino)phenyl]-5-(4-mesylphenyl)-N-methyl-pyrazole-3-carboxamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)NCC=O

Isomeric SMILES

CNC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)NCC=O

InChI

InChI=1S/C20H20N4O4S/c1-21-20(26)18-13-19(14-3-9-17(10-4-14)29(2,27)28)24(23-18)16-7-5-15(6-8-16)22-11-12-25/h3-10,12-13,22H,11H2,1-2H3,(H,21,26)