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

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-methyl-5-methylsulfonyl-benzamide Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-methyl-5-methylsulfonyl-benzamide CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-2-methyl-5-methylsulfonylbenzamide IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methyl-5-methylsulfonylbenzamide Traditional Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-5-mesyl-2-methyl-benzamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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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)C3=CC=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-14-10-11-18(28(4,26)27)12-19(14)21(25)22-13-20-15(2)23-24(16(20)3)17-8-6-5-7-9-17/h5-12H,13H2,1-4H3,(H,22,25)