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

Systemtic Name: 2-[[ethyl-[(3-sulfophenyl)methyl]amino]-diphenyl-methyl]benzenesulfonic acid Openeye Name: 2-[[ethyl-[(3-sulfophenyl)methyl]amino]-diphenyl-methyl]benzenesulfonic acid CAS Name: 2-[[ethyl-[(3-sulfophenyl)methyl]amino]-diphenylmethyl]benzenesulfonic acid IUPAC Name: 2-[[ethyl-[(3-sulfophenyl)methyl]amino]-diphenylmethyl]benzenesulfonic acid Traditional Name: 2-[[ethyl-(3-sulfobenzyl)amino]-diphenyl-methyl]besylic acid Formula: C28H27NO6S2 MolecularWeight: 537.64708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4S(=O)(=O)O

Isomeric SMILES

CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4S(=O)(=O)O

InChI

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