N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-4-ethanoyl-benzenesulfonamide

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-4-ethanoyl-benzenesulfonamide Openeye Name: 4-acetyl-N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]benzenesulfonamide CAS Name: 4-acetyl-N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]benzenesulfonamide IUPAC Name: 4-acetyl-N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]benzenesulfonamide Traditional Name: 4-acetyl-N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]benzenesulfonamide Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O4S/c1-16(25)17-6-8-18(9-7-17)29(26,27)23-10-13-28-20-14-19(21-15-22-20)24-11-4-2-3-5-12-24/h6-9,14-15,23H,2-5,10-13H2,1H3