3-(azepan-1-ylcarbonyl)-N-(3-bromanyl-4-ethoxy-phenyl)benzenesulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-N-(3-bromanyl-4-ethoxy-phenyl)benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-N-(3-bromo-4-ethoxy-phenyl)benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-N-(3-bromo-4-ethoxyphenyl)benzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-N-(3-bromo-4-ethoxyphenyl)benzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-N-(3-bromo-4-ethoxy-phenyl)benzenesulfonamide Formula: C21H25BrN2O4S MolecularWeight: 481.4032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCCCC3)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCCCC3)Br

InChI

InChI=1S/C21H25BrN2O4S/c1-2-28-20-11-10-17(15-19(20)22)23-29(26,27)18-9-7-8-16(14-18)21(25)24-12-5-3-4-6-13-24/h7-11,14-15,23H,2-6,12-13H2,1H3