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

Systemtic Name: 4-[(3-oxidanylidene-3-phenyl-propanoyl)-propyl-amino]benzenesulfonate Openeye Name: 4-[(3-oxo-3-phenyl-propanoyl)-propyl-amino]benzenesulfonate CAS Name: 4-[(1,3-dioxo-3-phenylpropyl)-propylamino]benzenesulfonate IUPAC Name: 4-[(3-oxo-3-phenylpropanoyl)-propylamino]benzenesulfonate Traditional Name: 4-[(3-keto-3-phenyl-propanoyl)-propyl-amino]besylate Formula: C18H18NO5S- MolecularWeight: 360.40422

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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)/p-1