2-(carbamimidoylsulfanylmethyl)-3-(dimethylsulfamoyl)benzoic acid

Systemtic Name: 2-(carbamimidoylsulfanylmethyl)-3-(dimethylsulfamoyl)benzoic acid Openeye Name: 2-(carbamimidoylsulfanylmethyl)-3-(dimethylsulfamoyl)benzoic acid CAS Name: 2-[(carbamimidoylthio)methyl]-3-(dimethylsulfamoyl)benzoic acid IUPAC Name: 2-(carbamimidoylsulfanylmethyl)-3-(dimethylsulfamoyl)benzoic acid Traditional Name: 2-[(amidinothio)methyl]-3-(dimethylsulfamoyl)benzoic acid Formula: C11H15N3O4S2 MolecularWeight: 317.3845

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1CSC(=N)N)C(=O)O

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1CSC(=N)N)C(=O)O

InChI

InChI=1S/C11H15N3O4S2/c1-14(2)20(17,18)9-5-3-4-7(10(15)16)8(9)6-19-11(12)13/h3-5H,6H2,1-2H3,(H3,12,13)(H,15,16)