2-[[(3-aminophenyl)-[(2-sulfophenyl)methyl]amino]methyl]benzenesulfonic acid

Systemtic Name: 2-[[(3-aminophenyl)-[(2-sulfophenyl)methyl]amino]methyl]benzenesulfonic acid Openeye Name: 2-[[3-amino-N-[(2-sulfophenyl)methyl]anilino]methyl]benzenesulfonic acid CAS Name: 2-[[3-amino-N-[(2-sulfophenyl)methyl]anilino]methyl]benzenesulfonic acid IUPAC Name: 2-[[3-amino-N-[(2-sulfophenyl)methyl]anilino]methyl]benzenesulfonic acid Traditional Name: 2-[(3-amino-N-(2-sulfobenzyl)anilino)methyl]besylic acid Formula: C20H20N2O6S2 MolecularWeight: 448.5126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN(CC2=CC=CC=C2S(=O)(=O)O)C3=CC=CC(=C3)N)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)CN(CC2=CC=CC=C2S(=O)(=O)O)C3=CC=CC(=C3)N)S(=O)(=O)O

InChI

InChI=1S/C20H20N2O6S2/c21-17-8-5-9-18(12-17)22(13-15-6-1-3-10-19(15)29(23,24)25)14-16-7-2-4-11-20(16)30(26,27)28/h1-12H,13-14,21H2,(H,23,24,25)(H,26,27,28)