[4-[2-[12-(1,3-thiazol-2-ylsulfanyl)dodecanoylamino]ethyl]phenyl] sulfamate

Systemtic Name: [4-[2-[12-(1,3-thiazol-2-ylsulfanyl)dodecanoylamino]ethyl]phenyl] sulfamate Openeye Name: [4-[2-(12-thiazol-2-ylsulfanyldodecanoylamino)ethyl]phenyl] sulfamate CAS Name: sulfamic acid [4-[2-[[1-oxo-12-(2-thiazolylthio)dodecyl]amino]ethyl]phenyl] ester IUPAC Name: [4-[2-[12-(1,3-thiazol-2-ylsulfanyl)dodecanoylamino]ethyl]phenyl] sulfamate Traditional Name: sulfamic acid [4-[2-[12-(thiazol-2-ylthio)dodecanoylamino]ethyl]phenyl] ester Formula: C23H35N3O4S3 MolecularWeight: 513.7367

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)CCCCCCCCCCCSC2=NC=CS2)OS(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)CCCCCCCCCCCSC2=NC=CS2)OS(=O)(=O)N

InChI

InChI=1S/C23H35N3O4S3/c24-33(28,29)30-21-13-11-20(12-14-21)15-16-25-22(27)10-8-6-4-2-1-3-5-7-9-18-31-23-26-17-19-32-23/h11-14,17,19H,1-10,15-16,18H2,(H,25,27)(H2,24,28,29)