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

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-2-[[3-fluoranyl-4-(methylsulfonylamino)phenyl]methyl]-3-methoxy-guanidine Openeye Name: 1-[(4-tert-butylphenyl)methyl]-2-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-methoxy-guanidine CAS Name: 1-[(4-tert-butylphenyl)methyl]-2-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-methoxyguanidine IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-2-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-methoxyguanidine Traditional Name: 1-(4-tert-butylbenzyl)-2-[3-fluoro-4-(methanesulfonamido)benzyl]-3-methoxy-guanidine Formula: C21H29FN4O3S MolecularWeight: 436.543363

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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)NOC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNC(=NCC2=CC(=C(C=C2)NS(=O)(=O)C)F)NOC

InChI

InChI=1S/C21H29FN4O3S/c1-21(2,3)17-9-6-15(7-10-17)13-23-20(25-29-4)24-14-16-8-11-19(18(22)12-16)26-30(5,27)28/h6-12,26H,13-14H2,1-5H3,(H2,23,24,25)