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

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]-2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethanamide Openeye Name: 2-(4-methylpiperazin-1-yl)-2-oxo-N-[2-(p-tolylsulfonyl)-2-(3-pyridyl)ethyl]acetamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]-2-(4-methyl-1-piperazinyl)-2-oxoacetamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-(4-methylpiperazin-1-yl)-2-oxoacetamide Traditional Name: 2-keto-2-(4-methylpiperazino)-N-[2-(3-pyridyl)-2-tosyl-ethyl]acetamide Formula: C21H26N4O4S MolecularWeight: 430.52054

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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)C3=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4S/c1-16-5-7-18(8-6-16)30(28,29)19(17-4-3-9-22-14-17)15-23-20(26)21(27)25-12-10-24(2)11-13-25/h3-9,14,19H,10-13,15H2,1-2H3,(H,23,26)