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

Systemtic Name: 2-(4-methanoylpiperazin-1-yl)-N-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]-2-oxidanylidene-ethanamide Openeye Name: 2-(4-formylpiperazin-1-yl)-2-oxo-N-[2-(p-tolylsulfonyl)-2-(3-pyridyl)ethyl]acetamide CAS Name: 2-(4-formyl-1-piperazinyl)-N-[2-(4-methylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]-2-oxoacetamide IUPAC Name: 2-(4-formylpiperazin-1-yl)-N-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-oxoacetamide Traditional Name: 2-(4-formylpiperazino)-2-keto-N-[2-(3-pyridyl)-2-tosyl-ethyl]acetamide Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O5S/c1-16-4-6-18(7-5-16)31(29,30)19(17-3-2-8-22-13-17)14-23-20(27)21(28)25-11-9-24(15-26)10-12-25/h2-8,13,15,19H,9-12,14H2,1H3,(H,23,27)