N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide Traditional Name: 2-(4-besylpiperazino)-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide Formula: C23H27N5O3S MolecularWeight: 453.55718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H27N5O3S/c1-18-23(19(2)28(25-18)20-9-5-3-6-10-20)24-22(29)17-26-13-15-27(16-14-26)32(30,31)21-11-7-4-8-12-21/h3-12H,13-17H2,1-2H3,(H,24,29)