3-[[(E)-[(4-hexadecoxyphenyl)-piperidin-1-yl-methylidene]amino]sulfamoyl]benzoic acid

Systemtic Name: 3-[[(E)-[(4-hexadecoxyphenyl)-piperidin-1-yl-methylidene]amino]sulfamoyl]benzoic acid Openeye Name: 3-[[(E)-[(4-hexadecoxyphenyl)-(1-piperidyl)methylene]amino]sulfamoyl]benzoic acid CAS Name: 3-[[(E)-[(4-hexadecoxyphenyl)-(1-piperidinyl)methylidene]amino]sulfamoyl]benzoic acid IUPAC Name: 3-[[(E)-[(4-hexadecoxyphenyl)-piperidin-1-ylmethylidene]amino]sulfamoyl]benzoic acid Traditional Name: 3-[[(E)-[(4-cetyloxyphenyl)-piperidino-methylene]amino]sulfamoyl]benzoic acid Formula: C35H53N3O5S MolecularWeight: 627.87742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=NNS(=O)(=O)C2=CC=CC(=C2)C(=O)O)N3CCCCC3

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)/C(=N\NS(=O)(=O)C2=CC=CC(=C2)C(=O)O)/N3CCCCC3

InChI

InChI=1S/C35H53N3O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-28-43-32-24-22-30(23-25-32)34(38-26-16-15-17-27-38)36-37-44(41,42)33-21-19-20-31(29-33)35(39)40/h19-25,29,37H,2-18,26-28H2,1H3,(H,39,40)/b36-34+