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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]benzamide Openeye Name: 4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)benzamide CAS Name: 4-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)benzamide IUPAC Name: 4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide Traditional Name: 4-[(4-besylpiperazino)methyl]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)benzamide Formula: C29H31N5O4S MolecularWeight: 545.65254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)CN4CCN(CC4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)CN4CCN(CC4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H31N5O4S/c1-22-27(29(36)34(31(22)2)25-9-5-3-6-10-25)30-28(35)24-15-13-23(14-16-24)21-32-17-19-33(20-18-32)39(37,38)26-11-7-4-8-12-26/h3-16H,17-21H2,1-2H3,(H,30,35)