(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methanone CAS Name: (3,5-dimethyl-1-phenyl-4-pyrazolyl)-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone Traditional Name: (4-benzylsulfonylpiperazino)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methanone Formula: C23H26N4O3S MolecularWeight: 438.54254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3S/c1-18-22(19(2)27(24-18)21-11-7-4-8-12-21)23(28)25-13-15-26(16-14-25)31(29,30)17-20-9-5-3-6-10-20/h3-12H,13-17H2,1-2H3