[3-oxidanyl-2-(2-pyrrolidin-1-ylethylamino)-6,8-dioxabicyclo[3.2.1]octan-4-yl] 4-methylbenzenesulfonate

Systemtic Name: [3-oxidanyl-2-(2-pyrrolidin-1-ylethylamino)-6,8-dioxabicyclo[3.2.1]octan-4-yl] 4-methylbenzenesulfonate Openeye Name: [3-hydroxy-2-(2-pyrrolidin-1-ylethylamino)-6,8-dioxabicyclo[3.2.1]octan-4-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-hydroxy-2-[2-(1-pyrrolidinyl)ethylamino]-6,8-dioxabicyclo[3.2.1]octan-4-yl] ester IUPAC Name: [3-hydroxy-2-(2-pyrrolidin-1-ylethylamino)-6,8-dioxabicyclo[3.2.1]octan-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-hydroxy-2-(2-pyrrolidinoethylamino)-6,8-dioxabicyclo[3.2.1]octan-4-yl] ester Formula: C19H28N2O6S MolecularWeight: 412.50042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C(C(C3COC2O3)NCCN4CCCC4)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2C(C(C3COC2O3)NCCN4CCCC4)O

InChI

InChI=1S/C19H28N2O6S/c1-13-4-6-14(7-5-13)28(23,24)27-18-17(22)16(15-12-25-19(18)26-15)20-8-11-21-9-2-3-10-21/h4-7,15-20,22H,2-3,8-12H2,1H3