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

Systemtic Name: 4-bromanyl-2-chloranyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide Openeye Name: 4-bromo-2-chloro-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide CAS Name: 4-bromo-2-chloro-N-[[4-(4-morpholin-4-iumylmethyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 4-bromo-2-chloro-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide Traditional Name: 4-bromo-2-chloro-N-[4-(morpholin-4-ium-4-ylmethyl)benzyl]benzenesulfonamide Formula: C18H21BrClN2O3S+ MolecularWeight: 460.79294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrClN2O3S/c19-16-5-6-18(17(20)11-16)26(23,24)21-12-14-1-3-15(4-2-14)13-22-7-9-25-10-8-22/h1-6,11,21H,7-10,12-13H2/p+1