[4-[2-(12-azidododecanoylamino)ethyl]phenyl] sulfamate

Systemtic Name: [4-[2-(12-azidododecanoylamino)ethyl]phenyl] sulfamate Openeye Name: [4-[2-(12-azidododecanoylamino)ethyl]phenyl] sulfamate CAS Name: sulfamic acid [4-[2-[(12-azido-1-oxododecyl)amino]ethyl]phenyl] ester IUPAC Name: [4-[2-(12-azidododecanoylamino)ethyl]phenyl] sulfamate Traditional Name: sulfamic acid [4-[2-(12-azidododecanoylamino)ethyl]phenyl] ester Formula: C20H33N5O4S MolecularWeight: 439.57212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)CCCCCCCCCCCN=[N+]=[N-])OS(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)CCCCCCCCCCCN=[N+]=[N-])OS(=O)(=O)N

InChI

InChI=1S/C20H33N5O4S/c21-25-24-16-9-7-5-3-1-2-4-6-8-10-20(26)23-17-15-18-11-13-19(14-12-18)29-30(22,27)28/h11-14H,1-10,15-17H2,(H,23,26)(H2,22,27,28)