3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide

Systemtic Name: 3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide Openeye Name: 3-(3-oxopiperazin-1-yl)sulfonyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide CAS Name: 3-[(3-oxo-1-piperazinyl)sulfonyl]-N-[2-[4-(1-pyrazolyl)phenyl]ethyl]benzamide IUPAC Name: 3-(3-oxopiperazin-1-yl)sulfonyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide Traditional Name: 3-(3-ketopiperazino)sulfonyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C22H23N5O4S/c28-21-16-26(14-12-23-21)32(30,31)20-4-1-3-18(15-20)22(29)24-11-9-17-5-7-19(8-6-17)27-13-2-10-25-27/h1-8,10,13,15H,9,11-12,14,16H2,(H,23,28)(H,24,29)