3-azanyl-2-bromanyl-6-(2-diethylaminoethyl)benzenesulfonic acid

Systemtic Name: 3-azanyl-2-bromanyl-6-(2-diethylaminoethyl)benzenesulfonic acid Openeye Name: 3-amino-2-bromo-6-(2-diethylaminoethyl)benzenesulfonic acid CAS Name: 3-amino-2-bromo-6-(2-diethylaminoethyl)benzenesulfonic acid IUPAC Name: 3-amino-2-bromo-6-(2-diethylaminoethyl)benzenesulfonic acid Traditional Name: 3-amino-2-bromo-6-(2-diethylaminoethyl)besylic acid Formula: C12H19BrN2O3S MolecularWeight: 351.25986

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1=C(C(=C(C=C1)N)Br)S(=O)(=O)O

Isomeric SMILES

CCN(CC)CCC1=C(C(=C(C=C1)N)Br)S(=O)(=O)O

InChI

InChI=1S/C12H19BrN2O3S/c1-3-15(4-2)8-7-9-5-6-10(14)11(13)12(9)19(16,17)18/h5-6H,3-4,7-8,14H2,1-2H3,(H,16,17,18)