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

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2,4,5-trimethyl-benzenesulfonamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2,4,5-trimethyl-benzenesulfonamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-2,4,5-trimethylbenzenesulfonamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2,4,5-trimethylbenzenesulfonamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2,4,5-trimethyl-benzenesulfonamide Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3)C

InChI

InChI=1S/C21H30N4O3S/c1-16-12-18(3)19(13-17(16)2)29(26,27)24-8-11-28-21-14-20(22-15-23-21)25-9-6-4-5-7-10-25/h12-15,24H,4-11H2,1-3H3