propyl 2-(5-fluoranyl-1H-indol-3-yl)-4-methyl-benzenesulfonate

Systemtic Name: propyl 2-(5-fluoranyl-1H-indol-3-yl)-4-methyl-benzenesulfonate Openeye Name: propyl 2-(5-fluoro-1H-indol-3-yl)-4-methyl-benzenesulfonate CAS Name: 2-(5-fluoro-1H-indol-3-yl)-4-methylbenzenesulfonic acid propyl ester IUPAC Name: propyl 2-(5-fluoro-1H-indol-3-yl)-4-methylbenzenesulfonate Traditional Name: 2-(5-fluoro-1H-indol-3-yl)-4-methyl-benzenesulfonic acid propyl ester Formula: C18H18FNO3S MolecularWeight: 347.403823

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Descriptors Computed from Structure

Canonical SMILES:

CCCOS(=O)(=O)C1=C(C=C(C=C1)C)C2=CNC3=C2C=C(C=C3)F

Isomeric SMILES

CCCOS(=O)(=O)C1=C(C=C(C=C1)C)C2=CNC3=C2C=C(C=C3)F

InChI

InChI=1S/C18H18FNO3S/c1-3-8-23-24(21,22)18-7-4-12(2)9-15(18)16-11-20-17-6-5-13(19)10-14(16)17/h4-7,9-11,20H,3,8H2,1-2H3