N-[2-methyl-4-(2-pyrazol-1-ylpropanoylamino)phenyl]-3-methylsulfonyl-benzamide

Systemtic Name: N-[2-methyl-4-(2-pyrazol-1-ylpropanoylamino)phenyl]-3-methylsulfonyl-benzamide Openeye Name: N-[2-methyl-4-(2-pyrazol-1-ylpropanoylamino)phenyl]-3-methylsulfonyl-benzamide CAS Name: N-[2-methyl-4-[[1-oxo-2-(1-pyrazolyl)propyl]amino]phenyl]-3-methylsulfonylbenzamide IUPAC Name: N-[2-methyl-4-(2-pyrazol-1-ylpropanoylamino)phenyl]-3-methylsulfonylbenzamide Traditional Name: 3-mesyl-N-[2-methyl-4-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C(C)N2C=CC=N2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C(C)N2C=CC=N2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C21H22N4O4S/c1-14-12-17(23-20(26)15(2)25-11-5-10-22-25)8-9-19(14)24-21(27)16-6-4-7-18(13-16)30(3,28)29/h4-13,15H,1-3H3,(H,23,26)(H,24,27)