3-ethanoyl-N-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide

Systemtic Name: 3-ethanoyl-N-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide Openeye Name: 3-acetyl-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide CAS Name: 3-acetyl-N-[3-oxo-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]benzenesulfonamide IUPAC Name: 3-acetyl-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide Traditional Name: 3-acetyl-N-[3-keto-3-[4-(2-pyrimidyl)piperazino]propyl]benzenesulfonamide Formula: C19H23N5O4S MolecularWeight: 417.48202

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)NCCC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)NCCC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C19H23N5O4S/c1-15(25)16-4-2-5-17(14-16)29(27,28)22-9-6-18(26)23-10-12-24(13-11-23)19-20-7-3-8-21-19/h2-5,7-8,14,22H,6,9-13H2,1H3