2-(4-ethanoylpiperazin-1-yl)-N-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]-2-oxidanylidene-ethanamide

Systemtic Name: 2-(4-ethanoylpiperazin-1-yl)-N-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]-2-oxidanylidene-ethanamide Openeye Name: 2-(4-acetylpiperazin-1-yl)-2-oxo-N-[2-(p-tolylsulfonyl)-2-(3-pyridyl)ethyl]acetamide CAS Name: 2-(4-acetyl-1-piperazinyl)-N-[2-(4-methylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]-2-oxoacetamide IUPAC Name: 2-(4-acetylpiperazin-1-yl)-N-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-oxoacetamide Traditional Name: 2-(4-acetylpiperazino)-2-keto-N-[2-(3-pyridyl)-2-tosyl-ethyl]acetamide Formula: C22H26N4O5S MolecularWeight: 458.53064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C(=O)N2CCN(CC2)C(=O)C)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C(=O)N2CCN(CC2)C(=O)C)C3=CN=CC=C3

InChI

InChI=1S/C22H26N4O5S/c1-16-5-7-19(8-6-16)32(30,31)20(18-4-3-9-23-14-18)15-24-21(28)22(29)26-12-10-25(11-13-26)17(2)27/h3-9,14,20H,10-13,15H2,1-2H3,(H,24,28)