2-[[6-[(2-sulfonatophenyl)methylamino]hexylamino]methyl]benzenesulfonate

Systemtic Name: 2-[[6-[(2-sulfonatophenyl)methylamino]hexylamino]methyl]benzenesulfonate Openeye Name: 2-[[6-[(2-sulfonatophenyl)methylamino]hexylamino]methyl]benzenesulfonate CAS Name: 2-[[6-[(2-sulfonatophenyl)methylamino]hexylamino]methyl]benzenesulfonate IUPAC Name: 2-[[6-[(2-sulfonatophenyl)methylamino]hexylamino]methyl]benzenesulfonate Traditional Name: 2-[[6-[(2-sulfonatobenzyl)amino]hexylamino]methyl]besylate Formula: C20H26N2O6S2-2 MolecularWeight: 454.56024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNCCCCCCNCC2=CC=CC=C2S(=O)(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CNCCCCCCNCC2=CC=CC=C2S(=O)(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C20H28N2O6S2/c23-29(24,25)19-11-5-3-9-17(19)15-21-13-7-1-2-8-14-22-16-18-10-4-6-12-20(18)30(26,27)28/h3-6,9-12,21-22H,1-2,7-8,13-16H2,(H,23,24,25)(H,26,27,28)/p-2