5-bromanyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-sulfonamide

Systemtic Name: 5-bromanyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-sulfonamide Openeye Name: 5-bromo-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-sulfonamide CAS Name: 5-bromo-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2-thiophenesulfonamide IUPAC Name: 5-bromo-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-sulfonamide Traditional Name: 5-bromo-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]thiophene-2-sulfonamide Formula: C16H20BrN2O2S2+ MolecularWeight: 416.3762

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNS(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNS(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C16H19BrN2O2S2/c17-15-7-8-16(22-15)23(20,21)18-11-13-3-5-14(6-4-13)12-19-9-1-2-10-19/h3-8,18H,1-2,9-12H2/p+1