N-(2-phenoxyethyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: N-(2-phenoxyethyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide Openeye Name: N-(2-phenoxyethyl)-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide CAS Name: 3-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-N-(2-phenoxyethyl)benzenesulfonamide IUPAC Name: N-(2-phenoxyethyl)-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide Traditional Name: N-(2-phenoxyethyl)-3-[4-(2-pyrimidyl)piperazine-1-carbonyl]benzenesulfonamide Formula: C23H25N5O4S MolecularWeight: 467.5407

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NCCOC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NCCOC4=CC=CC=C4

InChI

InChI=1S/C23H25N5O4S/c29-22(27-13-15-28(16-14-27)23-24-10-5-11-25-23)19-6-4-9-21(18-19)33(30,31)26-12-17-32-20-7-2-1-3-8-20/h1-11,18,26H,12-17H2