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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[(4-ethylsulfonyl-1-piperazinyl)methyl]benzamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide Traditional Name: 3-[(4-esylpiperazino)methyl]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)benzamide Formula: C25H31N5O4S MolecularWeight: 497.60974

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)CC2=CC=CC(=C2)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)CC2=CC=CC(=C2)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C25H31N5O4S/c1-4-35(33,34)29-15-13-28(14-16-29)18-20-9-8-10-21(17-20)24(31)26-23-19(2)27(3)30(25(23)32)22-11-6-5-7-12-22/h5-12,17H,4,13-16,18H2,1-3H3,(H,26,31)