3-[[5-(4-bromophenyl)furan-2-yl]methyl-methyl-amino]propane-1-sulfonic acid

Systemtic Name: 3-[[5-(4-bromophenyl)furan-2-yl]methyl-methyl-amino]propane-1-sulfonic acid Openeye Name: 3-[[5-(4-bromophenyl)-2-furyl]methyl-methyl-amino]propane-1-sulfonic acid CAS Name: 3-[[5-(4-bromophenyl)-2-furanyl]methyl-methylamino]-1-propanesulfonic acid IUPAC Name: 3-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]propane-1-sulfonic acid Traditional Name: 3-[[5-(4-bromophenyl)-2-furyl]methyl-methyl-amino]propane-1-sulfonic acid Formula: C15H18BrNO4S MolecularWeight: 388.27672

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCS(=O)(=O)O)CC1=CC=C(O1)C2=CC=C(C=C2)Br

Isomeric SMILES

CN(CCCS(=O)(=O)O)CC1=CC=C(O1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C15H18BrNO4S/c1-17(9-2-10-22(18,19)20)11-14-7-8-15(21-14)12-3-5-13(16)6-4-12/h3-8H,2,9-11H2,1H3,(H,18,19,20)