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

Systemtic Name: 4-[(3-oxidanylidene-3-phenyl-propanoyl)-pentyl-amino]benzenesulfonate Openeye Name: 4-[(3-oxo-3-phenyl-propanoyl)-pentyl-amino]benzenesulfonate CAS Name: 4-[(1,3-dioxo-3-phenylpropyl)-pentylamino]benzenesulfonate IUPAC Name: 4-[(3-oxo-3-phenylpropanoyl)-pentylamino]benzenesulfonate Traditional Name: 4-[amyl-(3-keto-3-phenyl-propanoyl)amino]besylate Formula: C20H22NO5S- MolecularWeight: 388.45738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=CC=C(C=C1)S(=O)(=O)[O-])C(=O)CC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCN(C1=CC=C(C=C1)S(=O)(=O)[O-])C(=O)CC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H23NO5S/c1-2-3-7-14-21(17-10-12-18(13-11-17)27(24,25)26)20(23)15-19(22)16-8-5-4-6-9-16/h4-6,8-13H,2-3,7,14-15H2,1H3,(H,24,25,26)/p-1