methyl 4-[3-(4-fluorophenyl)-1-methyl-pyrrol-2-yl]benzenesulfonate

Systemtic Name: methyl 4-[3-(4-fluorophenyl)-1-methyl-pyrrol-2-yl]benzenesulfonate Openeye Name: methyl 4-[3-(4-fluorophenyl)-1-methyl-pyrrol-2-yl]benzenesulfonate CAS Name: 4-[3-(4-fluorophenyl)-1-methyl-2-pyrrolyl]benzenesulfonic acid methyl ester IUPAC Name: methyl 4-[3-(4-fluorophenyl)-1-methylpyrrol-2-yl]benzenesulfonate Traditional Name: 4-[3-(4-fluorophenyl)-1-methyl-pyrrol-2-yl]benzenesulfonic acid methyl ester Formula: C18H16FNO3S MolecularWeight: 345.387943

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=C1C2=CC=C(C=C2)S(=O)(=O)OC)C3=CC=C(C=C3)F

Isomeric SMILES

CN1C=CC(=C1C2=CC=C(C=C2)S(=O)(=O)OC)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H16FNO3S/c1-20-12-11-17(13-3-7-15(19)8-4-13)18(20)14-5-9-16(10-6-14)24(21,22)23-2/h3-12H,1-2H3