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

Systemtic Name: N-tert-butyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide Openeye Name: N-tert-butyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide CAS Name: N-tert-butyl-3-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: N-tert-butyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide Traditional Name: N-tert-butyl-3-[4-(2-pyrimidyl)piperazine-1-carbonyl]benzenesulfonamide Formula: C19H25N5O3S MolecularWeight: 403.4985

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O3S/c1-19(2,3)22-28(26,27)16-7-4-6-15(14-16)17(25)23-10-12-24(13-11-23)18-20-8-5-9-21-18/h4-9,14,22H,10-13H2,1-3H3