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

Systemtic Name: [4-[2-(dodec-2-ynoylamino)ethyl]phenyl] sulfamate Openeye Name: [4-[2-(dodec-2-ynoylamino)ethyl]phenyl] sulfamate CAS Name: sulfamic acid [4-[2-(1-oxododec-2-ynylamino)ethyl]phenyl] ester IUPAC Name: [4-[2-(dodec-2-ynoylamino)ethyl]phenyl] sulfamate Traditional Name: sulfamic acid [4-[2-(dodec-2-ynoylamino)ethyl]phenyl] ester Formula: C20H30N2O4S MolecularWeight: 394.5282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O4S/c1-2-3-4-5-6-7-8-9-10-11-20(23)22-17-16-18-12-14-19(15-13-18)26-27(21,24)25/h12-15H,2-9,16-17H2,1H3,(H,22,23)(H2,21,24,25)