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

Systemtic Name: 5-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-pyrrolidin-2-yl]-N'-oxidanyl-pentanimidamide Openeye Name: 5-[5-(4-fluorophenyl)-1-(p-tolylsulfonyl)pyrrolidin-2-yl]-N'-hydroxy-pentanamidine CAS Name: 5-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-N'-hydroxypentanimidamide IUPAC Name: 5-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-N'-hydroxypentanimidamide Traditional Name: 5-[5-(4-fluorophenyl)-1-tosyl-pyrrolidin-2-yl]-N'-hydroxy-valeramidine Formula: C22H28FN3O3S MolecularWeight: 433.539423

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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)CCCCC(=NO)N

Isomeric SMILES

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

InChI

InChI=1S/C22H28FN3O3S/c1-16-6-13-20(14-7-16)30(28,29)26-19(4-2-3-5-22(24)25-27)12-15-21(26)17-8-10-18(23)11-9-17/h6-11,13-14,19,21,27H,2-5,12,15H2,1H3,(H2,24,25)