(2-chloranyl-6-fluoranyl-phenyl)methyl-cyclopropyl-[(3-morpholin-4-ylsulfonylphenyl)methyl]azanium

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl-cyclopropyl-[(3-morpholin-4-ylsulfonylphenyl)methyl]azanium Openeye Name: (2-chloro-6-fluoro-phenyl)methyl-cyclopropyl-[(3-morpholinosulfonylphenyl)methyl]ammonium CAS Name: (2-chloro-6-fluorophenyl)methyl-cyclopropyl-[[3-(4-morpholinylsulfonyl)phenyl]methyl]ammonium IUPAC Name: (2-chloro-6-fluorophenyl)methyl-cyclopropyl-[(3-morpholin-4-ylsulfonylphenyl)methyl]azanium Traditional Name: (2-chloro-6-fluoro-benzyl)-cyclopropyl-(3-morpholinosulfonylbenzyl)ammonium Formula: C21H25ClFN2O3S+ MolecularWeight: 439.951203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1[NH+](CC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1CC1[NH+](CC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C21H24ClFN2O3S/c22-20-5-2-6-21(23)19(20)15-24(17-7-8-17)14-16-3-1-4-18(13-16)29(26,27)25-9-11-28-12-10-25/h1-6,13,17H,7-12,14-15H2/p+1