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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O3S/c1-16-7-8-17(2)18(13-16)28(25,26)23-9-12-27-20-14-19(21-15-22-20)24-10-5-3-4-6-11-24/h7-8,13-15,23H,3-6,9-12H2,1-2H3