[4-[2-[8-(1,3-benzoxazol-2-ylsulfanyl)octanoylamino]ethyl]phenyl] sulfamate

Systemtic Name: [4-[2-[8-(1,3-benzoxazol-2-ylsulfanyl)octanoylamino]ethyl]phenyl] sulfamate Openeye Name: [4-[2-[8-(1,3-benzoxazol-2-ylsulfanyl)octanoylamino]ethyl]phenyl] sulfamate CAS Name: sulfamic acid [4-[2-[[8-(1,3-benzoxazol-2-ylthio)-1-oxooctyl]amino]ethyl]phenyl] ester IUPAC Name: [4-[2-[8-(1,3-benzoxazol-2-ylsulfanyl)octanoylamino]ethyl]phenyl] sulfamate Traditional Name: sulfamic acid [4-[2-[8-(1,3-benzoxazol-2-ylthio)octanoylamino]ethyl]phenyl] ester Formula: C23H29N3O5S2 MolecularWeight: 491.62346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCCCCCCCC(=O)NCCC3=CC=C(C=C3)OS(=O)(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCCCCCCCC(=O)NCCC3=CC=C(C=C3)OS(=O)(=O)N

InChI

InChI=1S/C23H29N3O5S2/c24-33(28,29)31-19-13-11-18(12-14-19)15-16-25-22(27)10-4-2-1-3-7-17-32-23-26-20-8-5-6-9-21(20)30-23/h5-6,8-9,11-14H,1-4,7,10,15-17H2,(H,25,27)(H2,24,28,29)