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

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

CCC(C1CCC(N1S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)F)C(=NO)N

Isomeric SMILES

CCC(C1CCC(N1S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)F)/C(=N\O)/N

InChI

InChI=1S/C21H26FN3O3S/c1-3-18(21(23)24-26)20-13-12-19(15-6-8-16(22)9-7-15)25(20)29(27,28)17-10-4-14(2)5-11-17/h4-11,18-20,26H,3,12-13H2,1-2H3,(H2,23,24)