4-[1,3-bis-(4-methylphenyl)sulfonyl-3-pyridin-4-yl-propyl]pyridine

Systemtic Name: 4-[1,3-bis-(4-methylphenyl)sulfonyl-3-pyridin-4-yl-propyl]pyridine Openeye Name: 4-[1,3-bis(p-tolylsulfonyl)-3-(4-pyridyl)propyl]pyridine CAS Name: 4-[1,3-bis-(4-methylphenyl)sulfonyl-3-pyridin-4-ylpropyl]pyridine IUPAC Name: 4-[1,3-bis-(4-methylphenyl)sulfonyl-3-pyridin-4-ylpropyl]pyridine Traditional Name: 4-[3-(4-pyridyl)-1,3-ditosyl-propyl]pyridine Formula: C27H26N2O4S2 MolecularWeight: 506.63634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O4S2/c1-20-3-7-24(8-4-20)34(30,31)26(22-11-15-28-16-12-22)19-27(23-13-17-29-18-14-23)35(32,33)25-9-5-21(2)6-10-25/h3-18,26-27H,19H2,1-2H3