2-azanyl-5-(2-sulfanylethylcarbamoyl)benzenesulfonic acid

Systemtic Name: 2-azanyl-5-(2-sulfanylethylcarbamoyl)benzenesulfonic acid Openeye Name: 2-amino-5-(2-sulfanylethylcarbamoyl)benzenesulfonic acid CAS Name: 2-amino-5-[(2-mercaptoethylamino)-oxomethyl]benzenesulfonic acid IUPAC Name: 2-amino-5-(2-sulfanylethylcarbamoyl)benzenesulfonic acid Traditional Name: 2-amino-5-(2-mercaptoethylcarbamoyl)besylic acid Formula: C9H12N2O4S2 MolecularWeight: 276.33258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)NCCS)S(=O)(=O)O)N

Isomeric SMILES

C1=CC(=C(C=C1C(=O)NCCS)S(=O)(=O)O)N

InChI

InChI=1S/C9H12N2O4S2/c10-7-2-1-6(9(12)11-3-4-16)5-8(7)17(13,14)15/h1-2,5,16H,3-4,10H2,(H,11,12)(H,13,14,15)