3-[[3-[4-(phenylmethyl)piperazin-1-yl]propanoylamino]sulfamoyl]benzoic acid

Systemtic Name: 3-[[3-[4-(phenylmethyl)piperazin-1-yl]propanoylamino]sulfamoyl]benzoic acid Openeye Name: 3-[[3-(4-benzylpiperazin-1-yl)propanoylamino]sulfamoyl]benzoic acid CAS Name: 3-[[[1-oxo-3-[4-(phenylmethyl)-1-piperazinyl]propyl]amino]sulfamoyl]benzoic acid IUPAC Name: 3-[[3-(4-benzylpiperazin-1-yl)propanoylamino]sulfamoyl]benzoic acid Traditional Name: 3-[[3-(4-benzylpiperazino)propanoylamino]sulfamoyl]benzoic acid Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)NNS(=O)(=O)C2=CC=CC(=C2)C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CCC(=O)NNS(=O)(=O)C2=CC=CC(=C2)C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N4O5S/c26-20(22-23-31(29,30)19-8-4-7-18(15-19)21(27)28)9-10-24-11-13-25(14-12-24)16-17-5-2-1-3-6-17/h1-8,15,23H,9-14,16H2,(H,22,26)(H,27,28)