5-[[(Z)-(1-methyl-4-octadecoxy-quinolin-2-ylidene)amino]sulfamoyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[(Z)-(1-methyl-4-octadecoxy-quinolin-2-ylidene)amino]sulfamoyl]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[[(Z)-(1-methyl-4-octadecoxy-2-quinolylidene)amino]sulfamoyl]benzoic acid CAS Name: 2-hydroxy-5-[[(Z)-(1-methyl-4-octadecoxy-2-quinolinylidene)amino]sulfamoyl]benzoic acid IUPAC Name: 2-hydroxy-5-[[(Z)-(1-methyl-4-octadecoxyquinolin-2-ylidene)amino]sulfamoyl]benzoic acid Traditional Name: 2-hydroxy-5-[[(Z)-(1-methyl-4-stearyloxy-2-quinolylidene)amino]sulfamoyl]benzoic acid Formula: C35H51N3O6S MolecularWeight: 641.86094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=NNS(=O)(=O)C2=CC(=C(C=C2)O)C(=O)O)N(C3=CC=CC=C31)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=C/C(=N/NS(=O)(=O)C2=CC(=C(C=C2)O)C(=O)O)/N(C3=CC=CC=C31)C

InChI

InChI=1S/C35H51N3O6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-44-33-27-34(38(2)31-22-19-18-21-29(31)33)36-37-45(42,43)28-23-24-32(39)30(26-28)35(40)41/h18-19,21-24,26-27,37,39H,3-17,20,25H2,1-2H3,(H,40,41)/b36-34-