2-[[2,3-bis(diethylamino)phenyl]methyl]benzenesulfonic acid

Systemtic Name: 2-[[2,3-bis(diethylamino)phenyl]methyl]benzenesulfonic acid Openeye Name: 2-[[2,3-bis(diethylamino)phenyl]methyl]benzenesulfonic acid CAS Name: 2-[[2,3-bis(diethylamino)phenyl]methyl]benzenesulfonic acid IUPAC Name: 2-[[2,3-bis(diethylamino)phenyl]methyl]benzenesulfonic acid Traditional Name: 2-[2,3-bis(diethylamino)benzyl]besylic acid Formula: C21H30N2O3S MolecularWeight: 390.5395

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=CC(=C1N(CC)CC)CC2=CC=CC=C2S(=O)(=O)O

Isomeric SMILES

CCN(CC)C1=CC=CC(=C1N(CC)CC)CC2=CC=CC=C2S(=O)(=O)O

InChI

InChI=1S/C21H30N2O3S/c1-5-22(6-2)19-14-11-13-18(21(19)23(7-3)8-4)16-17-12-9-10-15-20(17)27(24,25)26/h9-15H,5-8,16H2,1-4H3,(H,24,25,26)