[4-[2-[6-(heptanoylamino)hexanoylamino]ethyl]phenyl] sulfamate

Systemtic Name: [4-[2-[6-(heptanoylamino)hexanoylamino]ethyl]phenyl] sulfamate Openeye Name: [4-[2-[6-(heptanoylamino)hexanoylamino]ethyl]phenyl] sulfamate CAS Name: sulfamic acid [4-[2-[[1-oxo-6-(1-oxoheptylamino)hexyl]amino]ethyl]phenyl] ester IUPAC Name: [4-[2-[6-(heptanoylamino)hexanoylamino]ethyl]phenyl] sulfamate Traditional Name: sulfamic acid [4-[2-[6-(enanthylamino)hexanoylamino]ethyl]phenyl] ester Formula: C21H35N3O5S MolecularWeight: 441.5847

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NCCCCCC(=O)NCCC1=CC=C(C=C1)OS(=O)(=O)N

Isomeric SMILES

CCCCCCC(=O)NCCCCCC(=O)NCCC1=CC=C(C=C1)OS(=O)(=O)N

InChI

InChI=1S/C21H35N3O5S/c1-2-3-4-6-9-20(25)23-16-8-5-7-10-21(26)24-17-15-18-11-13-19(14-12-18)29-30(22,27)28/h11-14H,2-10,15-17H2,1H3,(H,23,25)(H,24,26)(H2,22,27,28)