ethyl 4-[[3-(4-phenylpiperazin-1-yl)propanoylamino]sulfamoyl]benzoate

Systemtic Name: ethyl 4-[[3-(4-phenylpiperazin-1-yl)propanoylamino]sulfamoyl]benzoate Openeye Name: ethyl 4-[[3-(4-phenylpiperazin-1-yl)propanoylamino]sulfamoyl]benzoate CAS Name: 4-[[[1-oxo-3-(4-phenyl-1-piperazinyl)propyl]amino]sulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(4-phenylpiperazin-1-yl)propanoylamino]sulfamoyl]benzoate Traditional Name: 4-[[3-(4-phenylpiperazino)propanoylamino]sulfamoyl]benzoic acid ethyl ester Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NNC(=O)CCN2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NNC(=O)CCN2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C22H28N4O5S/c1-2-31-22(28)18-8-10-20(11-9-18)32(29,30)24-23-21(27)12-13-25-14-16-26(17-15-25)19-6-4-3-5-7-19/h3-11,24H,2,12-17H2,1H3,(H,23,27)