4-(aminomethyl)benzenesulfonic acid; 2-azanylethanesulfonic acid; 2-(methylamino)ethanesulfonic acid

Systemtic Name: 4-(aminomethyl)benzenesulfonic acid; 2-azanylethanesulfonic acid; 2-(methylamino)ethanesulfonic acid Openeye Name: 2-aminoethanesulfonic acid; 4-(aminomethyl)benzenesulfonic acid; 2-(methylamino)ethanesulfonic acid CAS Name: 2-aminoethanesulfonic acid; 4-(aminomethyl)benzenesulfonic acid; 2-(methylamino)ethanesulfonic acid IUPAC Name: 2-aminoethanesulfonic acid; 4-(aminomethyl)benzenesulfonic acid; 2-(methylamino)ethanesulfonic acid Traditional Name: 2-aminoethanesulfonic acid; 4-(aminomethyl)besylic acid; 2-(methylamino)ethanesulfonic acid Formula: C12H25N3O9S3 MolecularWeight: 451.5366

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Descriptors Computed from Structure

Canonical SMILES:

CNCCS(=O)(=O)O.C1=CC(=CC=C1CN)S(=O)(=O)O.C(CS(=O)(=O)O)N

Isomeric SMILES

CNCCS(=O)(=O)O.C1=CC(=CC=C1CN)S(=O)(=O)O.C(CS(=O)(=O)O)N

InChI

InChI=1S/C7H9NO3S.C3H9NO3S.C2H7NO3S/c8-5-6-1-3-7(4-2-6)12(9,10)11;1-4-2-3-8(5,6)7;3-1-2-7(4,5)6/h1-4H,5,8H2,(H,9,10,11);4H,2-3H2,1H3,(H,5,6,7);1-3H2,(H,4,5,6)