2-bromanyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide

Systemtic Name: 2-bromanyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide Openeye Name: 2-bromo-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide CAS Name: 2-bromo-N-[[4-(4-morpholin-4-iumylmethyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 2-bromo-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide Traditional Name: 2-bromo-N-[4-(morpholin-4-ium-4-ylmethyl)benzyl]benzenesulfonamide Formula: C18H22BrN2O3S+ MolecularWeight: 426.34788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)CNS(=O)(=O)C3=CC=CC=C3Br

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)CNS(=O)(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C18H21BrN2O3S/c19-17-3-1-2-4-18(17)25(22,23)20-13-15-5-7-16(8-6-15)14-21-9-11-24-12-10-21/h1-8,20H,9-14H2/p+1