N-[[3,5-bis(bromanyl)phenyl]methyl]-4-chloranyl-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide

Systemtic Name: N-[[3,5-bis(bromanyl)phenyl]methyl]-4-chloranyl-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide Openeye Name: 4-chloro-N-[(3,5-dibromophenyl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide CAS Name: 4-chloro-N-[(3,5-dibromophenyl)methyl]-N-(2-oxo-3-azepanyl)benzenesulfonamide IUPAC Name: 4-chloro-N-[(3,5-dibromophenyl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide Traditional Name: 4-chloro-N-(3,5-dibromobenzyl)-N-(2-ketoazepan-3-yl)benzenesulfonamide Formula: C19H19Br2ClN2O3S MolecularWeight: 550.69176

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N(CC2=CC(=CC(=C2)Br)Br)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCNC(=O)C(C1)N(CC2=CC(=CC(=C2)Br)Br)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H19Br2ClN2O3S/c20-14-9-13(10-15(21)11-14)12-24(18-3-1-2-8-23-19(18)25)28(26,27)17-6-4-16(22)5-7-17/h4-7,9-11,18H,1-3,8,12H2,(H,23,25)