N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3,5-dimethyl-benzenesulfonamide

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3,5-dimethyl-benzenesulfonamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3,5-dimethyl-benzenesulfonamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-3,5-dimethylbenzenesulfonamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3,5-dimethylbenzenesulfonamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3,5-dimethyl-benzenesulfonamide Formula: C20H28N4O3S MolecularWeight: 404.52632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)S(=O)(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)S(=O)(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3)C

InChI

InChI=1S/C20H28N4O3S/c1-16-11-17(2)13-18(12-16)28(25,26)23-7-10-27-20-14-19(21-15-22-20)24-8-5-3-4-6-9-24/h11-15,23H,3-10H2,1-2H3