4-(carbamimidoylsulfanylmethyl)benzenesulfonic acid

Systemtic Name: 4-(carbamimidoylsulfanylmethyl)benzenesulfonic acid Openeye Name: 4-(carbamimidoylsulfanylmethyl)benzenesulfonic acid CAS Name: 4-[(carbamimidoylthio)methyl]benzenesulfonic acid IUPAC Name: 4-(carbamimidoylsulfanylmethyl)benzenesulfonic acid Traditional Name: 4-[(amidinothio)methyl]besylic acid Formula: C8H10N2O3S2 MolecularWeight: 246.3066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10N2O3S2/c9-8(10)14-5-6-1-3-7(4-2-6)15(11,12)13/h1-4H,5H2,(H3,9,10)(H,11,12,13)