4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-pyrrolidin-2-yl]-N'-oxidanyl-butanimidamide

Systemtic Name: 4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-pyrrolidin-2-yl]-N'-oxidanyl-butanimidamide Openeye Name: 4-[5-(4-fluorophenyl)-1-(p-tolylsulfonyl)pyrrolidin-2-yl]-N'-hydroxy-butanamidine CAS Name: 4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-N'-hydroxybutanimidamide IUPAC Name: 4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-N'-hydroxybutanimidamide Traditional Name: 4-[5-(4-fluorophenyl)-1-tosyl-pyrrolidin-2-yl]-N'-hydroxy-butyramidine Formula: C21H26FN3O3S MolecularWeight: 419.512843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2C3=CC=C(C=C3)F)CCCC(=NO)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2C3=CC=C(C=C3)F)CCC/C(=N\O)/N

InChI

InChI=1S/C21H26FN3O3S/c1-15-5-12-19(13-6-15)29(27,28)25-18(3-2-4-21(23)24-26)11-14-20(25)16-7-9-17(22)10-8-16/h5-10,12-13,18,20,26H,2-4,11,14H2,1H3,(H2,23,24)