[4-[2-(tetradec-4-ynoylamino)ethyl]phenyl] sulfamate

Systemtic Name: [4-[2-(tetradec-4-ynoylamino)ethyl]phenyl] sulfamate Openeye Name: [4-[2-(tetradec-4-ynoylamino)ethyl]phenyl] sulfamate CAS Name: sulfamic acid [4-[2-(1-oxotetradec-4-ynylamino)ethyl]phenyl] ester IUPAC Name: [4-[2-(tetradec-4-ynoylamino)ethyl]phenyl] sulfamate Traditional Name: sulfamic acid [4-[2-(tetradec-4-ynoylamino)ethyl]phenyl] ester Formula: C22H34N2O4S MolecularWeight: 422.58136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC#CCCC(=O)NCCC1=CC=C(C=C1)OS(=O)(=O)N

Isomeric SMILES

CCCCCCCCCC#CCCC(=O)NCCC1=CC=C(C=C1)OS(=O)(=O)N

InChI

InChI=1S/C22H34N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(25)24-19-18-20-14-16-21(17-15-20)28-29(23,26)27/h14-17H,2-9,12-13,18-19H2,1H3,(H,24,25)(H2,23,26,27)