4-[(3-oxidanylidene-3-phenyl-propanoyl)-propyl-amino]benzenesulfonate; 1-piperidin-1-ylbutane-1,3-dione

Systemtic Name: 4-[(3-oxidanylidene-3-phenyl-propanoyl)-propyl-amino]benzenesulfonate; 1-piperidin-1-ylbutane-1,3-dione Openeye Name: 4-[(3-oxo-3-phenyl-propanoyl)-propyl-amino]benzenesulfonate; 1-(1-piperidyl)butane-1,3-dione CAS Name: 4-[(1,3-dioxo-3-phenylpropyl)-propylamino]benzenesulfonate; 1-(1-piperidinyl)butane-1,3-dione IUPAC Name: 4-[(3-oxo-3-phenylpropanoyl)-propylamino]benzenesulfonate; 1-piperidin-1-ylbutane-1,3-dione Traditional Name: 4-[(3-keto-3-phenyl-propanoyl)-propyl-amino]besylate; 1-piperidinobutane-1,3-dione Formula: C27H33N2O7S- MolecularWeight: 529.62512

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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.CC(=O)CC(=O)N1CCCCC1

Isomeric SMILES

CCCN(C1=CC=C(C=C1)S(=O)(=O)[O-])C(=O)CC(=O)C2=CC=CC=C2.CC(=O)CC(=O)N1CCCCC1

InChI

InChI=1S/C18H19NO5S.C9H15NO2/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;1-8(11)7-9(12)10-5-3-2-4-6-10/h3-11H,2,12-13H2,1H3,(H,22,23,24);2-7H2,1H3/p-1