6-azanylhexyl 4-ethyl-5-[2-(methylsulfonylamino)phenyl]-3-(6-oxidanylidenehexyl)furan-2-carboxylate

Systemtic Name: 6-azanylhexyl 4-ethyl-5-[2-(methylsulfonylamino)phenyl]-3-(6-oxidanylidenehexyl)furan-2-carboxylate Openeye Name: 6-aminohexyl 4-ethyl-5-[2-(methanesulfonamido)phenyl]-3-(6-oxohexyl)furan-2-carboxylate CAS Name: 4-ethyl-5-[2-(methanesulfonamido)phenyl]-3-(6-oxohexyl)-2-furancarboxylic acid 6-aminohexyl ester IUPAC Name: 6-aminohexyl 4-ethyl-5-[2-(methanesulfonamido)phenyl]-3-(6-oxohexyl)furan-2-carboxylate Traditional Name: 4-ethyl-3-(6-ketohexyl)-5-[2-(methanesulfonamido)phenyl]furan-2-carboxylic acid 6-aminohexyl ester Formula: C26H38N2O6S MolecularWeight: 506.65472

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(OC(=C1CCCCCC=O)C(=O)OCCCCCCN)C2=CC=CC=C2NS(=O)(=O)C

Isomeric SMILES

CCC1=C(OC(=C1CCCCCC=O)C(=O)OCCCCCCN)C2=CC=CC=C2NS(=O)(=O)C

InChI

InChI=1S/C26H38N2O6S/c1-3-20-21(14-8-4-6-12-18-29)25(26(30)33-19-13-7-5-11-17-27)34-24(20)22-15-9-10-16-23(22)28-35(2,31)32/h9-10,15-16,18,28H,3-8,11-14,17,19,27H2,1-2H3