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

Systemtic Name: N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-2,4-dimethyl-benzenesulfonamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2,4-dimethyl-benzenesulfonamide CAS Name: N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-2,4-dimethylbenzenesulfonamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,4-dimethylbenzenesulfonamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2,4-dimethyl-benzenesulfonamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-15-10-11-21(16(2)12-15)27(25,26)22-13-20-17(3)23-24(18(20)4)14-19-8-6-5-7-9-19/h5-12,22H,13-14H2,1-4H3