3-[(3-acetamidophenyl)-ethyl-amino]-2-oxidanyl-propane-1-sulfonic acid

Systemtic Name: 3-[(3-acetamidophenyl)-ethyl-amino]-2-oxidanyl-propane-1-sulfonic acid Openeye Name: 3-(3-acetamido-N-ethyl-anilino)-2-hydroxy-propane-1-sulfonic acid CAS Name: 3-(3-acetamido-N-ethylanilino)-2-hydroxy-1-propanesulfonic acid IUPAC Name: 3-(3-acetamido-N-ethylanilino)-2-hydroxypropane-1-sulfonic acid Traditional Name: 3-(3-acetamido-N-ethyl-anilino)-2-hydroxy-propane-1-sulfonic acid Formula: C13H20N2O5S MolecularWeight: 316.3733

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(CS(=O)(=O)O)O)C1=CC=CC(=C1)NC(=O)C

Isomeric SMILES

CCN(CC(CS(=O)(=O)O)O)C1=CC=CC(=C1)NC(=O)C

InChI

InChI=1S/C13H20N2O5S/c1-3-15(8-13(17)9-21(18,19)20)12-6-4-5-11(7-12)14-10(2)16/h4-7,13,17H,3,8-9H2,1-2H3,(H,14,16)(H,18,19,20)