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

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-4-chloranyl-2,5-dimethyl-benzenesulfonamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-4-chloro-2,5-dimethyl-benzenesulfonamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-4-chloro-2,5-dimethylbenzenesulfonamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-4-chloro-2,5-dimethylbenzenesulfonamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-4-chloro-2,5-dimethyl-benzenesulfonamide Formula: C20H27ClN4O3S MolecularWeight: 438.97138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3

InChI

InChI=1S/C20H27ClN4O3S/c1-15-12-18(16(2)11-17(15)21)29(26,27)24-7-10-28-20-13-19(22-14-23-20)25-8-5-3-4-6-9-25/h11-14,24H,3-10H2,1-2H3