2-[(4-methylphenyl)sulfonylamino]ethanoic acid hydrate

Systemtic Name: 2-[(4-methylphenyl)sulfonylamino]ethanoic acid hydrate Openeye Name: 2-(p-tolylsulfonylamino)acetic acid hydrate CAS Name: 2-[(4-methylphenyl)sulfonylamino]acetic acid hydrate IUPAC Name: 2-[(4-methylphenyl)sulfonylamino]acetic acid hydrate Traditional Name: 2-(tosylamino)acetic acid hydrate Formula: C9H13NO5S MolecularWeight: 247.26822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)O.O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)O.O

InChI

InChI=1S/C9H11NO4S.H2O/c1-7-2-4-8(5-3-7)15(13,14)10-6-9(11)12;/h2-5,10H,6H2,1H3,(H,11,12);1H2