2-bromanyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzenesulfonamide

Systemtic Name: 2-bromanyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzenesulfonamide Openeye Name: 2-bromo-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzenesulfonamide CAS Name: 2-bromo-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 2-bromo-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzenesulfonamide Traditional Name: 2-bromo-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzenesulfonamide Formula: C18H22BrN2O2S+ MolecularWeight: 410.34848

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNS(=O)(=O)C3=CC=CC=C3Br

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNS(=O)(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C18H21BrN2O2S/c19-17-5-1-2-6-18(17)24(22,23)20-13-15-7-9-16(10-8-15)14-21-11-3-4-12-21/h1-2,5-10,20H,3-4,11-14H2/p+1