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

Systemtic Name: N-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4-propan-2-yl-benzenesulfonamide Openeye Name: 4-isopropyl-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide CAS Name: N-[3-oxo-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-4-propan-2-ylbenzenesulfonamide IUPAC Name: N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4-propan-2-ylbenzenesulfonamide Traditional Name: 4-isopropyl-N-[3-keto-3-[4-(2-pyrimidyl)piperazino]propyl]benzenesulfonamide Formula: C20H27N5O3S MolecularWeight: 417.52508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O3S/c1-16(2)17-4-6-18(7-5-17)29(27,28)23-11-8-19(26)24-12-14-25(15-13-24)20-21-9-3-10-22-20/h3-7,9-10,16,23H,8,11-15H2,1-2H3