N-[2-(azepan-1-yl)-5-chloranyl-phenyl]-5-bromanyl-2-ethoxy-benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-5-chloranyl-phenyl]-5-bromanyl-2-ethoxy-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-5-chloro-phenyl]-5-bromo-2-ethoxy-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-5-chlorophenyl]-5-bromo-2-ethoxybenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-5-chlorophenyl]-5-bromo-2-ethoxybenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-5-chloro-phenyl]-5-bromo-2-ethoxy-benzenesulfonamide Formula: C20H24BrClN2O3S MolecularWeight: 487.83816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=C(C=CC(=C2)Cl)N3CCCCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=C(C=CC(=C2)Cl)N3CCCCCC3

InChI

InChI=1S/C20H24BrClN2O3S/c1-2-27-19-10-7-15(21)13-20(19)28(25,26)23-17-14-16(22)8-9-18(17)24-11-5-3-4-6-12-24/h7-10,13-14,23H,2-6,11-12H2,1H3