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

Systemtic Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]-2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethanamide Openeye Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridyl)ethyl]-2-(4-methylpiperazin-1-yl)-2-oxo-acetamide CAS Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]-2-(4-methyl-1-piperazinyl)-2-oxoacetamide IUPAC Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-(4-methylpiperazin-1-yl)-2-oxoacetamide Traditional Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridyl)ethyl]-2-keto-2-(4-methylpiperazino)acetamide Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O4S/c1-16-6-7-19(13-17(16)2)31(29,30)20(18-5-4-8-23-14-18)15-24-21(27)22(28)26-11-9-25(3)10-12-26/h4-8,13-14,20H,9-12,15H2,1-3H3,(H,24,27)