4-ethanoyl-N-methyl-N-[4-oxidanylidene-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]benzenesulfonamide

Systemtic Name: 4-ethanoyl-N-methyl-N-[4-oxidanylidene-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]benzenesulfonamide Openeye Name: 4-acetyl-N-methyl-N-[4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]benzenesulfonamide CAS Name: 4-acetyl-N-methyl-N-[4-oxo-4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]benzenesulfonamide IUPAC Name: 4-acetyl-N-methyl-N-[4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]benzenesulfonamide Traditional Name: 4-acetyl-N-[4-keto-4-[4-(2-pyrimidyl)piperazino]butyl]-N-methyl-benzenesulfonamide Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C21H27N5O4S/c1-17(27)18-6-8-19(9-7-18)31(29,30)24(2)12-3-5-20(28)25-13-15-26(16-14-25)21-22-10-4-11-23-21/h4,6-11H,3,5,12-16H2,1-2H3