3-methyl-N-[3-methyl-1-oxidanylidene-1-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]butan-2-yl]benzamide

Systemtic Name: 3-methyl-N-[3-methyl-1-oxidanylidene-1-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]butan-2-yl]benzamide Openeye Name: 3-methyl-N-[2-methyl-1-[2-[4-(2-pyridyl)piperazin-1-yl]sulfonylethylcarbamoyl]propyl]benzamide CAS Name: 3-methyl-N-[3-methyl-1-oxo-1-[2-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]ethylamino]butan-2-yl]benzamide IUPAC Name: 3-methyl-N-[3-methyl-1-oxo-1-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]butan-2-yl]benzamide Traditional Name: 3-methyl-N-[2-methyl-1-[2-[4-(2-pyridyl)piperazino]sulfonylethylcarbamoyl]propyl]benzamide Formula: C24H33N5O4S MolecularWeight: 487.61492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N5O4S/c1-18(2)22(27-23(30)20-8-6-7-19(3)17-20)24(31)26-11-16-34(32,33)29-14-12-28(13-15-29)21-9-4-5-10-25-21/h4-10,17-18,22H,11-16H2,1-3H3,(H,26,31)(H,27,30)