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

Systemtic Name: [4-oxidanylidene-2-(4-pentyl-2-bicyclo[2.2.2]octanyl)chromen-6-yl] sulfamate Openeye Name: [4-oxo-2-(4-pentyl-2-bicyclo[2.2.2]octanyl)chromen-6-yl] sulfamate CAS Name: sulfamic acid [4-oxo-2-(4-pentyl-2-bicyclo[2.2.2]octanyl)-1-benzopyran-6-yl] ester IUPAC Name: [4-oxo-2-(4-pentyl-2-bicyclo[2.2.2]octanyl)chromen-6-yl] sulfamate Traditional Name: sulfamic acid [2-(4-amyl-2-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)C(C2)C3=CC(=O)C4=C(O3)C=CC(=C4)OS(=O)(=O)N

Isomeric SMILES

CCCCCC12CCC(CC1)C(C2)C3=CC(=O)C4=C(O3)C=CC(=C4)OS(=O)(=O)N

InChI

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