5-[[(E)-[(4-hexadecoxy-3-methoxy-phenyl)-piperidin-1-yl-methylidene]amino]sulfamoyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[(E)-[(4-hexadecoxy-3-methoxy-phenyl)-piperidin-1-yl-methylidene]amino]sulfamoyl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[(E)-[(4-hexadecoxy-3-methoxy-phenyl)-(1-piperidyl)methylene]amino]sulfamoyl]benzene-1,3-dicarboxylic acid CAS Name: 5-[[(E)-[(4-hexadecoxy-3-methoxyphenyl)-(1-piperidinyl)methylidene]amino]sulfamoyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[(E)-[(4-hexadecoxy-3-methoxyphenyl)-piperidin-1-ylmethylidene]amino]sulfamoyl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[(E)-[(4-cetyloxy-3-methoxy-phenyl)-piperidino-methylene]amino]sulfamoyl]isophthalic acid Formula: C37H55N3O8S MolecularWeight: 701.9129

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H55N3O8S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24-48-33-21-20-29(28-34(33)47-2)35(40-22-17-16-18-23-40)38-39-49(45,46)32-26-30(36(41)42)25-31(27-32)37(43)44/h20-21,25-28,39H,3-19,22-24H2,1-2H3,(H,41,42)(H,43,44)/b38-35+