2-[3-[[3-azanyl-2-(4-fluorophenyl)-1H-pyrazol-3-yl]carbonyl]phenyl]ethyl methanesulfonate

Systemtic Name: 2-[3-[[3-azanyl-2-(4-fluorophenyl)-1H-pyrazol-3-yl]carbonyl]phenyl]ethyl methanesulfonate Openeye Name: 2-[3-[3-amino-2-(4-fluorophenyl)-1H-pyrazole-3-carbonyl]phenyl]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[3-[[3-amino-2-(4-fluorophenyl)-1H-pyrazol-3-yl]-oxomethyl]phenyl]ethyl ester IUPAC Name: 2-[3-[3-amino-2-(4-fluorophenyl)-1H-pyrazole-3-carbonyl]phenyl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[3-[3-amino-2-(4-fluorophenyl)-3-pyrazoline-3-carbonyl]phenyl]ethyl ester Formula: C19H20FN3O4S MolecularWeight: 405.443203

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCC1=CC=CC(=C1)C(=O)C2(C=CNN2C3=CC=C(C=C3)F)N

Isomeric SMILES

CS(=O)(=O)OCCC1=CC=CC(=C1)C(=O)C2(C=CNN2C3=CC=C(C=C3)F)N

InChI

InChI=1S/C19H20FN3O4S/c1-28(25,26)27-12-9-14-3-2-4-15(13-14)18(24)19(21)10-11-22-23(19)17-7-5-16(20)6-8-17/h2-8,10-11,13,22H,9,12,21H2,1H3