3-[(4-methylphenyl)carbonyl-oxidanyl-amino]propane-1-sulfonic acid

Systemtic Name: 3-[(4-methylphenyl)carbonyl-oxidanyl-amino]propane-1-sulfonic acid Openeye Name: 3-[hydroxy-(4-methylbenzoyl)amino]propane-1-sulfonic acid CAS Name: 3-[hydroxy-[(4-methylphenyl)-oxomethyl]amino]-1-propanesulfonic acid IUPAC Name: 3-[hydroxy-(4-methylbenzoyl)amino]propane-1-sulfonic acid Traditional Name: 3-[hydroxy(p-toluoyl)amino]propane-1-sulfonic acid Formula: C11H15NO5S MolecularWeight: 273.3055

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CCCS(=O)(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CCCS(=O)(=O)O)O

InChI

InChI=1S/C11H15NO5S/c1-9-3-5-10(6-4-9)11(13)12(14)7-2-8-18(15,16)17/h3-6,14H,2,7-8H2,1H3,(H,15,16,17)