1-[(4-tert-butylphenyl)methyl]-3-cyano-2-[[3-fluoranyl-4-(methylsulfonylamino)phenyl]methyl]guanidine

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-3-cyano-2-[[3-fluoranyl-4-(methylsulfonylamino)phenyl]methyl]guanidine Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-cyano-2-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]guanidine CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-cyano-2-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]guanidine IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3-cyano-2-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]guanidine Traditional Name: 1-(4-tert-butylbenzyl)-3-cyano-2-[3-fluoro-4-(methanesulfonamido)benzyl]guanidine Formula: C21H26FN5O2S MolecularWeight: 431.526843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CNC(=NCC2=CC(=C(C=C2)NS(=O)(=O)C)F)NC#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNC(=NCC2=CC(=C(C=C2)NS(=O)(=O)C)F)NC#N

InChI

InChI=1S/C21H26FN5O2S/c1-21(2,3)17-8-5-15(6-9-17)12-24-20(26-14-23)25-13-16-7-10-19(18(22)11-16)27-30(4,28)29/h5-11,27H,12-13H2,1-4H3,(H2,24,25,26)