3-[[4-[(3-ethoxy-4-propoxy-phenyl)carbonylamino]phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-[[4-[(3-ethoxy-4-propoxy-phenyl)carbonylamino]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[(3-ethoxy-4-propoxy-benzoyl)amino]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[[(3-ethoxy-4-propoxyphenyl)-oxomethyl]amino]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[(3-ethoxy-4-propoxybenzoyl)amino]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[(3-ethoxy-4-propoxy-benzoyl)amino]phenyl]sulfonylamino]propionic acid Formula: C21H26N2O7S MolecularWeight: 450.50534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O)OCC

InChI

InChI=1S/C21H26N2O7S/c1-3-13-30-18-10-5-15(14-19(18)29-4-2)21(26)23-16-6-8-17(9-7-16)31(27,28)22-12-11-20(24)25/h5-10,14,22H,3-4,11-13H2,1-2H3,(H,23,26)(H,24,25)