N-[3-(3,5-dimethylpyrazol-1-yl)-2-methyl-propyl]-4-(4-ethanoylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[3-(3,5-dimethylpyrazol-1-yl)-2-methyl-propyl]-4-(4-ethanoylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methyl-propyl]benzamide CAS Name: 4-[(4-acetyl-1-piperazinyl)sulfonyl]-N-[3-(3,5-dimethyl-1-pyrazolyl)-2-methylpropyl]benzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)sulfonyl-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide Traditional Name: 4-(4-acetylpiperazino)sulfonyl-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methyl-propyl]benzamide Formula: C22H31N5O4S MolecularWeight: 461.57764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(C)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C)C

Isomeric SMILES

CC1=CC(=NN1CC(C)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C)C

InChI

InChI=1S/C22H31N5O4S/c1-16(15-27-18(3)13-17(2)24-27)14-23-22(29)20-5-7-21(8-6-20)32(30,31)26-11-9-25(10-12-26)19(4)28/h5-8,13,16H,9-12,14-15H2,1-4H3,(H,23,29)