3-[[4-[[3-ethoxy-4-(2-methylpropoxy)phenyl]carbonylamino]phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-[[4-[[3-ethoxy-4-(2-methylpropoxy)phenyl]carbonylamino]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[(3-ethoxy-4-isobutoxy-benzoyl)amino]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[[[3-ethoxy-4-(2-methylpropoxy)phenyl]-oxomethyl]amino]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[[3-ethoxy-4-(2-methylpropoxy)benzoyl]amino]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[(3-ethoxy-4-isobutoxy-benzoyl)amino]phenyl]sulfonylamino]propionic acid Formula: C22H28N2O7S MolecularWeight: 464.53192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O)OCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O)OCC(C)C

InChI

InChI=1S/C22H28N2O7S/c1-4-30-20-13-16(5-10-19(20)31-14-15(2)3)22(27)24-17-6-8-18(9-7-17)32(28,29)23-12-11-21(25)26/h5-10,13,15,23H,4,11-12,14H2,1-3H3,(H,24,27)(H,25,26)