2-[[4-(3-phenylbutanoylamino)phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-(3-phenylbutanoylamino)phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-(3-phenylbutanoylamino)phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[(1-oxo-3-phenylbutyl)amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-(3-phenylbutanoylamino)phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-(3-phenylbutanoylamino)phenyl]sulfonylamino]acetic acid Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O5S/c1-13(14-5-3-2-4-6-14)11-17(21)20-15-7-9-16(10-8-15)26(24,25)19-12-18(22)23/h2-10,13,19H,11-12H2,1H3,(H,20,21)(H,22,23)