3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-N-[(2-pyrazol-1-ylpyridin-3-yl)methyl]benzamide

Systemtic Name: 3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-N-[(2-pyrazol-1-ylpyridin-3-yl)methyl]benzamide Openeye Name: 3-(3-oxopiperazin-1-yl)sulfonyl-N-[(2-pyrazol-1-yl-3-pyridyl)methyl]benzamide CAS Name: 3-[(3-oxo-1-piperazinyl)sulfonyl]-N-[[2-(1-pyrazolyl)-3-pyridinyl]methyl]benzamide IUPAC Name: 3-(3-oxopiperazin-1-yl)sulfonyl-N-[(2-pyrazol-1-ylpyridin-3-yl)methyl]benzamide Traditional Name: 3-(3-ketopiperazino)sulfonyl-N-[(2-pyrazol-1-yl-3-pyridyl)methyl]benzamide Formula: C20H20N6O4S MolecularWeight: 440.4756

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=C(N=CC=C3)N4C=CC=N4

Isomeric SMILES

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=C(N=CC=C3)N4C=CC=N4

InChI

InChI=1S/C20H20N6O4S/c27-18-14-25(11-9-21-18)31(29,30)17-6-1-4-15(12-17)20(28)23-13-16-5-2-7-22-19(16)26-10-3-8-24-26/h1-8,10,12H,9,11,13-14H2,(H,21,27)(H,23,28)