3-[3-(4-fluorophenyl)-2-pyridin-4-yl-pyrrol-1-yl]propyl 4-methylbenzenesulfonate

Systemtic Name: 3-[3-(4-fluorophenyl)-2-pyridin-4-yl-pyrrol-1-yl]propyl 4-methylbenzenesulfonate Openeye Name: 3-[3-(4-fluorophenyl)-2-(4-pyridyl)pyrrol-1-yl]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[3-(4-fluorophenyl)-2-pyridin-4-yl-1-pyrrolyl]propyl ester IUPAC Name: 3-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrol-1-yl]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-[3-(4-fluorophenyl)-2-(4-pyridyl)pyrrol-1-yl]propyl ester Formula: C25H23FN2O3S MolecularWeight: 450.525123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCN2C=CC(=C2C3=CC=NC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCN2C=CC(=C2C3=CC=NC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H23FN2O3S/c1-19-3-9-23(10-4-19)32(29,30)31-18-2-16-28-17-13-24(20-5-7-22(26)8-6-20)25(28)21-11-14-27-15-12-21/h3-15,17H,2,16,18H2,1H3