N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-3-methylsulfonyl-benzamide

Systemtic Name: N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-3-methylsulfonyl-benzamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-methylsulfonyl-benzamide CAS Name: N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-3-methylsulfonylbenzamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methylsulfonylbenzamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-mesyl-benzamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C21H23N3O3S/c1-15-20(16(2)24(23-15)14-17-8-5-4-6-9-17)13-22-21(25)18-10-7-11-19(12-18)28(3,26)27/h4-12H,13-14H2,1-3H3,(H,22,25)