[4-oxidanylidene-2-(1-pentyl-4-bicyclo[2.2.2]octanyl)chromen-6-yl] sulfamate

Systemtic Name: [4-oxidanylidene-2-(1-pentyl-4-bicyclo[2.2.2]octanyl)chromen-6-yl] sulfamate Openeye Name: [4-oxo-2-(1-pentyl-4-bicyclo[2.2.2]octanyl)chromen-6-yl] sulfamate CAS Name: sulfamic acid [4-oxo-2-(1-pentyl-4-bicyclo[2.2.2]octanyl)-1-benzopyran-6-yl] ester IUPAC Name: [4-oxo-2-(1-pentyl-4-bicyclo[2.2.2]octanyl)chromen-6-yl] sulfamate Traditional Name: sulfamic acid [2-(1-amyl-4-bicyclo[2.2.2]octanyl)-4-keto-chromen-6-yl] ester Formula: C22H29NO5S MolecularWeight: 419.53436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC12CCC(CC1)(CC2)C3=CC(=O)C4=C(O3)C=CC(=C4)OS(=O)(=O)N

Isomeric SMILES

CCCCCC12CCC(CC1)(CC2)C3=CC(=O)C4=C(O3)C=CC(=C4)OS(=O)(=O)N

InChI

InChI=1S/C22H29NO5S/c1-2-3-4-7-21-8-11-22(12-9-21,13-10-21)20-15-18(24)17-14-16(28-29(23,25)26)5-6-19(17)27-20/h5-6,14-15H,2-4,7-13H2,1H3,(H2,23,25,26)