3-[[3-methyl-5-[4-(2-methylsulfonylphenyl)phenyl]carbonyl-pyrazol-1-yl]methyl]benzenecarboximidamide

Systemtic Name: 3-[[3-methyl-5-[4-(2-methylsulfonylphenyl)phenyl]carbonyl-pyrazol-1-yl]methyl]benzenecarboximidamide Openeye Name: 3-[[3-methyl-5-[4-(2-methylsulfonylphenyl)benzoyl]pyrazol-1-yl]methyl]benzamidine CAS Name: 3-[[3-methyl-5-[[4-(2-methylsulfonylphenyl)phenyl]-oxomethyl]-1-pyrazolyl]methyl]benzenecarboximidamide IUPAC Name: 3-[[3-methyl-5-[4-(2-methylsulfonylphenyl)benzoyl]pyrazol-1-yl]methyl]benzenecarboximidamide Traditional Name: 3-[[5-[4-(2-mesylphenyl)benzoyl]-3-methyl-pyrazol-1-yl]methyl]benzamidine Formula: C26H24N4O3S MolecularWeight: 472.55876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)C)CC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

CC1=NN(C(=C1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)C)CC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C26H24N4O3S/c1-17-14-23(30(29-17)16-18-6-5-7-21(15-18)26(27)28)25(31)20-12-10-19(11-13-20)22-8-3-4-9-24(22)34(2,32)33/h3-15H,16H2,1-2H3,(H3,27,28)