[4-(2-benzamidoethanoyl)phenyl] propane-2-sulfonate

Systemtic Name: [4-(2-benzamidoethanoyl)phenyl] propane-2-sulfonate Openeye Name: [4-(2-benzamidoacetyl)phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-(2-benzamidoacetyl)phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid (4-hippuroylphenyl) ester Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC1=CC=C(C=C1)C(=O)CNC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)S(=O)(=O)OC1=CC=C(C=C1)C(=O)CNC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H19NO5S/c1-13(2)25(22,23)24-16-10-8-14(9-11-16)17(20)12-19-18(21)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,19,21)