[1-[5-ethanoyl-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]-1-methyl-pyrrol-3-yl]carbonylazetidin-3-yl] methanesulfonate

Systemtic Name: [1-[5-ethanoyl-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]-1-methyl-pyrrol-3-yl]carbonylazetidin-3-yl] methanesulfonate Openeye Name: [1-[5-acetyl-2-(2-fluoro-4-iodo-anilino)-1-methyl-pyrrole-3-carbonyl]azetidin-3-yl] methanesulfonate CAS Name: methanesulfonic acid [1-[[5-acetyl-2-(2-fluoro-4-iodoanilino)-1-methyl-3-pyrrolyl]-oxomethyl]-3-azetidinyl] ester IUPAC Name: [1-[5-acetyl-2-(2-fluoro-4-iodoanilino)-1-methylpyrrole-3-carbonyl]azetidin-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [1-[5-acetyl-2-(2-fluoro-4-iodo-anilino)-1-methyl-pyrrole-3-carbonyl]azetidin-3-yl] ester Formula: C18H19FIN3O5S MolecularWeight: 535.328433

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(N1C)NC2=C(C=C(C=C2)I)F)C(=O)N3CC(C3)OS(=O)(=O)C

Isomeric SMILES

CC(=O)C1=CC(=C(N1C)NC2=C(C=C(C=C2)I)F)C(=O)N3CC(C3)OS(=O)(=O)C

InChI

InChI=1S/C18H19FIN3O5S/c1-10(24)16-7-13(18(25)23-8-12(9-23)28-29(3,26)27)17(22(16)2)21-15-5-4-11(20)6-14(15)19/h4-7,12,21H,8-9H2,1-3H3