3-[[4-(3-phenylbutanoylamino)phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-[[4-(3-phenylbutanoylamino)phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-(3-phenylbutanoylamino)phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[(1-oxo-3-phenylbutyl)amino]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-(3-phenylbutanoylamino)phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-(3-phenylbutanoylamino)phenyl]sulfonylamino]propionic acid Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C19H22N2O5S/c1-14(15-5-3-2-4-6-15)13-18(22)21-16-7-9-17(10-8-16)27(25,26)20-12-11-19(23)24/h2-10,14,20H,11-13H2,1H3,(H,21,22)(H,23,24)