[5-(dimethylsulfamoyl)-2-sulfanylidene-1,3-benzoxazol-3-yl]methyl-[(3-fluorophenyl)methyl]-methyl-azanium

Systemtic Name: [5-(dimethylsulfamoyl)-2-sulfanylidene-1,3-benzoxazol-3-yl]methyl-[(3-fluorophenyl)methyl]-methyl-azanium Openeye Name: [5-(dimethylsulfamoyl)-2-thioxo-1,3-benzoxazol-3-yl]methyl-[(3-fluorophenyl)methyl]-methyl-ammonium CAS Name: [5-(dimethylsulfamoyl)-2-sulfanylidene-1,3-benzoxazol-3-yl]methyl-[(3-fluorophenyl)methyl]-methylammonium IUPAC Name: [5-(dimethylsulfamoyl)-2-sulfanylidene-1,3-benzoxazol-3-yl]methyl-[(3-fluorophenyl)methyl]-methylazanium Traditional Name: [5-(dimethylsulfamoyl)-2-thioxo-1,3-benzoxazol-3-yl]methyl-(3-fluorobenzyl)-methyl-ammonium Formula: C18H21FN3O3S2+ MolecularWeight: 410.506043

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=CC=C1)F)CN2C3=C(C=CC(=C3)S(=O)(=O)N(C)C)OC2=S

Isomeric SMILES

C[NH+](CC1=CC(=CC=C1)F)CN2C3=C(C=CC(=C3)S(=O)(=O)N(C)C)OC2=S

InChI

InChI=1S/C18H20FN3O3S2/c1-20(2)27(23,24)15-7-8-17-16(10-15)22(18(26)25-17)12-21(3)11-13-5-4-6-14(19)9-13/h4-10H,11-12H2,1-3H3/p+1