2-(aminomethyl)-5-(2-hydroxyethylsulfonyl)benzenesulfonic acid

Systemtic Name: 2-(aminomethyl)-5-(2-hydroxyethylsulfonyl)benzenesulfonic acid Openeye Name: 2-(aminomethyl)-5-(2-hydroxyethylsulfonyl)benzenesulfonic acid CAS Name: 2-(aminomethyl)-5-(2-hydroxyethylsulfonyl)benzenesulfonic acid IUPAC Name: 2-(aminomethyl)-5-(2-hydroxyethylsulfonyl)benzenesulfonic acid Traditional Name: 2-(aminomethyl)-5-(2-hydroxyethylsulfonyl)besylic acid Formula: C9H13NO6S2 MolecularWeight: 295.33262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)CCO)S(=O)(=O)O)CN

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)CCO)S(=O)(=O)O)CN

InChI

InChI=1S/C9H13NO6S2/c10-6-7-1-2-8(17(12,13)4-3-11)5-9(7)18(14,15)16/h1-2,5,11H,3-4,6,10H2,(H,14,15,16)