4-[(3-oxidanylidene-3-phenyl-propanoyl)-propyl-amino]benzenesulfonic acid

Systemtic Name: 4-[(3-oxidanylidene-3-phenyl-propanoyl)-propyl-amino]benzenesulfonic acid Openeye Name: 4-[(3-oxo-3-phenyl-propanoyl)-propyl-amino]benzenesulfonic acid CAS Name: 4-[(1,3-dioxo-3-phenylpropyl)-propylamino]benzenesulfonic acid IUPAC Name: 4-[(3-oxo-3-phenylpropanoyl)-propylamino]benzenesulfonic acid Traditional Name: 4-[(3-keto-3-phenyl-propanoyl)-propyl-amino]besylic acid Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CC=C(C=C1)S(=O)(=O)O)C(=O)CC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCN(C1=CC=C(C=C1)S(=O)(=O)O)C(=O)CC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H19NO5S/c1-2-12-19(15-8-10-16(11-9-15)25(22,23)24)18(21)13-17(20)14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,22,23,24)