2-ethyl-5-[[2-(naphthalen-2-ylmethyl)-6-naphthalen-2-yloxy-pyrimidin-4-yl]amino]benzenesulfonic acid

Systemtic Name: 2-ethyl-5-[[2-(naphthalen-2-ylmethyl)-6-naphthalen-2-yloxy-pyrimidin-4-yl]amino]benzenesulfonic acid Openeye Name: 2-ethyl-5-[[2-(2-naphthylmethyl)-6-(2-naphthyloxy)pyrimidin-4-yl]amino]benzenesulfonic acid CAS Name: 2-ethyl-5-[[2-(2-naphthalenylmethyl)-6-(2-naphthalenyloxy)-4-pyrimidinyl]amino]benzenesulfonic acid IUPAC Name: 2-ethyl-5-[[2-(naphthalen-2-ylmethyl)-6-naphthalen-2-yloxypyrimidin-4-yl]amino]benzenesulfonic acid Traditional Name: 2-ethyl-5-[[6-(2-naphthoxy)-2-(2-naphthylmethyl)pyrimidin-4-yl]amino]besylic acid Formula: C33H27N3O4S MolecularWeight: 561.65018

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)NC2=CC(=NC(=N2)CC3=CC4=CC=CC=C4C=C3)OC5=CC6=CC=CC=C6C=C5)S(=O)(=O)O

Isomeric SMILES

CCC1=C(C=C(C=C1)NC2=CC(=NC(=N2)CC3=CC4=CC=CC=C4C=C3)OC5=CC6=CC=CC=C6C=C5)S(=O)(=O)O

InChI

InChI=1S/C33H27N3O4S/c1-2-23-13-15-28(20-30(23)41(37,38)39)34-32-21-33(40-29-16-14-25-8-4-6-10-27(25)19-29)36-31(35-32)18-22-11-12-24-7-3-5-9-26(24)17-22/h3-17,19-21H,2,18H2,1H3,(H,34,35,36)(H,37,38,39)