[4-[(E)-14-pentylsulfonyl-3-(4-sulfamoyloxyphenyl)tetradec-3-en-4-yl]phenyl] sulfamate

Systemtic Name: [4-[(E)-14-pentylsulfonyl-3-(4-sulfamoyloxyphenyl)tetradec-3-en-4-yl]phenyl] sulfamate Openeye Name: [4-[(E)-1-ethyl-12-pentylsulfonyl-2-(4-sulfamoyloxyphenyl)dodec-1-enyl]phenyl] sulfamate CAS Name: sulfamic acid [4-[(E)-14-pentylsulfonyl-3-(4-sulfamoyloxyphenyl)tetradec-3-en-4-yl]phenyl] ester IUPAC Name: [4-[(E)-14-pentylsulfonyl-3-(4-sulfamoyloxyphenyl)tetradec-3-en-4-yl]phenyl] sulfamate Traditional Name: sulfamic acid [4-[(E)-1-(10-amylsulfonyldecyl)-2-(4-sulfamoyloxyphenyl)but-1-enyl]phenyl] ester Formula: C31H48N2O8S3 MolecularWeight: 672.91642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)CCCCCCCCCCC(=C(CC)C1=CC=C(C=C1)OS(=O)(=O)N)C2=CC=C(C=C2)OS(=O)(=O)N

Isomeric SMILES

CCCCCS(=O)(=O)CCCCCCCCCC/C(=C(/CC)\C1=CC=C(C=C1)OS(=O)(=O)N)/C2=CC=C(C=C2)OS(=O)(=O)N

InChI

InChI=1S/C31H48N2O8S3/c1-3-5-13-24-42(34,35)25-14-11-9-7-6-8-10-12-15-31(27-18-22-29(23-19-27)41-44(33,38)39)30(4-2)26-16-20-28(21-17-26)40-43(32,36)37/h16-23H,3-15,24-25H2,1-2H3,(H2,32,36,37)(H2,33,38,39)/b31-30+