2-[(4-acetamidophenyl)sulfonylamino]-3-[[4-(3-methoxy-3-oxidanylidene-propyl)phenyl]carbonylamino]propanoic acid

Systemtic Name: 2-[(4-acetamidophenyl)sulfonylamino]-3-[[4-(3-methoxy-3-oxidanylidene-propyl)phenyl]carbonylamino]propanoic acid Openeye Name: 2-[(4-acetamidophenyl)sulfonylamino]-3-[[4-(3-methoxy-3-oxo-propyl)benzoyl]amino]propanoic acid CAS Name: 2-[(4-acetamidophenyl)sulfonylamino]-3-[[[4-(3-methoxy-3-oxopropyl)phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[(4-acetamidophenyl)sulfonylamino]-3-[[4-(3-methoxy-3-oxopropyl)benzoyl]amino]propanoic acid Traditional Name: 2-[(4-acetamidophenyl)sulfonylamino]-3-[[4-(3-keto-3-methoxy-propyl)benzoyl]amino]propionic acid Formula: C22H25N3O8S MolecularWeight: 491.5142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)C2=CC=C(C=C2)CCC(=O)OC)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)C2=CC=C(C=C2)CCC(=O)OC)C(=O)O

InChI

InChI=1S/C22H25N3O8S/c1-14(26)24-17-8-10-18(11-9-17)34(31,32)25-19(22(29)30)13-23-21(28)16-6-3-15(4-7-16)5-12-20(27)33-2/h3-4,6-11,19,25H,5,12-13H2,1-2H3,(H,23,28)(H,24,26)(H,29,30)