4-[3-(4-ethoxy-3-methoxy-phenyl)propanoylamino]benzenesulfonate

Systemtic Name: 4-[3-(4-ethoxy-3-methoxy-phenyl)propanoylamino]benzenesulfonate Openeye Name: 4-[3-(4-ethoxy-3-methoxy-phenyl)propanoylamino]benzenesulfonate CAS Name: 4-[[3-(4-ethoxy-3-methoxyphenyl)-1-oxopropyl]amino]benzenesulfonate IUPAC Name: 4-[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]benzenesulfonate Traditional Name: 4-[3-(4-ethoxy-3-methoxy-phenyl)propanoylamino]besylate Formula: C18H20NO6S- MolecularWeight: 378.4195

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)[O-])OC

InChI

InChI=1S/C18H21NO6S/c1-3-25-16-10-4-13(12-17(16)24-2)5-11-18(20)19-14-6-8-15(9-7-14)26(21,22)23/h4,6-10,12H,3,5,11H2,1-2H3,(H,19,20)(H,21,22,23)/p-1