2-[[2-[ethyl-[(2-sulfophenyl)methyl]amino]phenyl]-phenyl-methyl]benzenesulfonate

Systemtic Name: 2-[[2-[ethyl-[(2-sulfophenyl)methyl]amino]phenyl]-phenyl-methyl]benzenesulfonate Openeye Name: 2-[[2-[ethyl-[(2-sulfophenyl)methyl]amino]phenyl]-phenyl-methyl]benzenesulfonate CAS Name: 2-[[2-[ethyl-[(2-sulfophenyl)methyl]amino]phenyl]-phenylmethyl]benzenesulfonate IUPAC Name: 2-[[2-[ethyl-[(2-sulfophenyl)methyl]amino]phenyl]-phenylmethyl]benzenesulfonate Traditional Name: 2-[[2-[ethyl-(2-sulfobenzyl)amino]phenyl]-phenyl-methyl]besylate Formula: C28H26NO6S2- MolecularWeight: 536.63914

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1S(=O)(=O)O)C2=CC=CC=C2C(C3=CC=CC=C3)C4=CC=CC=C4S(=O)(=O)[O-]

Isomeric SMILES

CCN(CC1=CC=CC=C1S(=O)(=O)O)C2=CC=CC=C2C(C3=CC=CC=C3)C4=CC=CC=C4S(=O)(=O)[O-]

InChI

InChI=1S/C28H27NO6S2/c1-2-29(20-22-14-6-10-18-26(22)36(30,31)32)25-17-9-7-15-23(25)28(21-12-4-3-5-13-21)24-16-8-11-19-27(24)37(33,34)35/h3-19,28H,2,20H2,1H3,(H,30,31,32)(H,33,34,35)/p-1