3-[(2-ethyl-6-methyl-phenyl)-(furan-2-ylcarbonyl)amino]propane-1-sulfonic acid

Systemtic Name: 3-[(2-ethyl-6-methyl-phenyl)-(furan-2-ylcarbonyl)amino]propane-1-sulfonic acid Openeye Name: 3-[2-ethyl-N-(furan-2-carbonyl)-6-methyl-anilino]propane-1-sulfonic acid CAS Name: 3-(2-ethyl-N-[2-furanyl(oxo)methyl]-6-methylanilino)-1-propanesulfonic acid IUPAC Name: 3-[2-ethyl-N-(furan-2-carbonyl)-6-methylanilino]propane-1-sulfonic acid Traditional Name: 3-[2-ethyl-N-(2-furoyl)-6-methyl-anilino]propane-1-sulfonic acid Formula: C17H21NO5S MolecularWeight: 351.41734

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1N(CCCS(=O)(=O)O)C(=O)C2=CC=CO2)C

Isomeric SMILES

CCC1=CC=CC(=C1N(CCCS(=O)(=O)O)C(=O)C2=CC=CO2)C

InChI

InChI=1S/C17H21NO5S/c1-3-14-8-4-7-13(2)16(14)18(10-6-12-24(20,21)22)17(19)15-9-5-11-23-15/h4-5,7-9,11H,3,6,10,12H2,1-2H3,(H,20,21,22)