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

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-5-bromanyl-2-methoxy-benzenesulfonamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-5-bromo-2-methoxy-benzenesulfonamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-5-bromo-2-methoxybenzenesulfonamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-5-bromo-2-methoxybenzenesulfonamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-5-bromo-2-methoxy-benzenesulfonamide Formula: C19H25BrN4O4S MolecularWeight: 485.3952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)S(=O)(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)S(=O)(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3

InChI

InChI=1S/C19H25BrN4O4S/c1-27-16-7-6-15(20)12-17(16)29(25,26)23-8-11-28-19-13-18(21-14-22-19)24-9-4-2-3-5-10-24/h6-7,12-14,23H,2-5,8-11H2,1H3