3-(azepan-1-ylcarbonyl)-N-(2-bromanyl-5-methyl-phenyl)benzenesulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-N-(2-bromanyl-5-methyl-phenyl)benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-N-(2-bromo-5-methyl-phenyl)benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-N-(2-bromo-5-methylphenyl)benzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-N-(2-bromo-5-methylphenyl)benzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-N-(2-bromo-5-methyl-phenyl)benzenesulfonamide Formula: C20H23BrN2O3S MolecularWeight: 451.37722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Br)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)Br)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCCCC3

InChI

InChI=1S/C20H23BrN2O3S/c1-15-9-10-18(21)19(13-15)22-27(25,26)17-8-6-7-16(14-17)20(24)23-11-4-2-3-5-12-23/h6-10,13-14,22H,2-5,11-12H2,1H3