3,5-dimethyl-N-[2-oxidanylidene-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide

Systemtic Name: 3,5-dimethyl-N-[2-oxidanylidene-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide Openeye Name: 3,5-dimethyl-N-[2-oxo-2-[2-[4-(2-pyridyl)piperazin-1-yl]sulfonylethylamino]ethyl]benzamide CAS Name: 3,5-dimethyl-N-[2-oxo-2-[2-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]ethylamino]ethyl]benzamide IUPAC Name: 3,5-dimethyl-N-[2-oxo-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide Traditional Name: N-[2-keto-2-[2-[4-(2-pyridyl)piperazino]sulfonylethylamino]ethyl]-3,5-dimethyl-benzamide Formula: C22H29N5O4S MolecularWeight: 459.56176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NCC(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=N3)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NCC(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=N3)C

InChI

InChI=1S/C22H29N5O4S/c1-17-13-18(2)15-19(14-17)22(29)25-16-21(28)24-7-12-32(30,31)27-10-8-26(9-11-27)20-5-3-4-6-23-20/h3-6,13-15H,7-12,16H2,1-2H3,(H,24,28)(H,25,29)