3-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]propyl 4-methylbenzenesulfonate

Systemtic Name: 3-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]propyl 4-methylbenzenesulfonate Openeye Name: 3-[5-(4-fluorophenyl)-4-(4-pyridyl)-1H-pyrrol-3-yl]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]propyl ester IUPAC Name: 3-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-[5-(4-fluorophenyl)-4-(4-pyridyl)-1H-pyrrol-3-yl]propyl ester Formula: C25H23FN2O3S MolecularWeight: 450.525123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2=CNC(=C2C3=CC=NC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2=CNC(=C2C3=CC=NC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H23FN2O3S/c1-18-4-10-23(11-5-18)32(29,30)31-16-2-3-21-17-28-25(20-6-8-22(26)9-7-20)24(21)19-12-14-27-15-13-19/h4-15,17,28H,2-3,16H2,1H3