N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-2-methyl-5-methylsulfonyl-benzamide

Systemtic Name: N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-2-methyl-5-methylsulfonyl-benzamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-methyl-5-methylsulfonyl-benzamide CAS Name: N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-2-methyl-5-methylsulfonylbenzamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methyl-5-methylsulfonylbenzamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-5-mesyl-2-methyl-benzamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NCC2=C(N(N=C2C)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NCC2=C(N(N=C2C)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H25N3O3S/c1-15-10-11-19(29(4,27)28)12-20(15)22(26)23-13-21-16(2)24-25(17(21)3)14-18-8-6-5-7-9-18/h5-12H,13-14H2,1-4H3,(H,23,26)