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

Systemtic Name: [5-(dimethylsulfamoyl)-2-sulfanylidene-1,3-benzoxazol-3-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[5-(dimethylsulfamoyl)-2-thioxo-1,3-benzoxazol-3-yl]methyl]-methyl-ammonium CAS Name: [5-(dimethylsulfamoyl)-2-sulfanylidene-1,3-benzoxazol-3-yl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[5-(dimethylsulfamoyl)-2-sulfanylidene-1,3-benzoxazol-3-yl]methyl]-methylazanium Traditional Name: benzyl-[[5-(dimethylsulfamoyl)-2-thioxo-1,3-benzoxazol-3-yl]methyl]-methyl-ammonium Formula: C18H22N3O3S2+ MolecularWeight: 392.51558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3S2/c1-19(2)26(22,23)15-9-10-17-16(11-15)21(18(25)24-17)13-20(3)12-14-7-5-4-6-8-14/h4-11H,12-13H2,1-3H3/p+1