[(2S,3S,4S)-4-azanyl-2-tetradecyl-oxolan-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,3S,4S)-4-azanyl-2-tetradecyl-oxolan-3-yl] 4-methylbenzenesulfonate Openeye Name: [(2S,3S,4S)-4-amino-2-tetradecyl-tetrahydrofuran-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3S,4S)-4-amino-2-tetradecyl-3-oxolanyl] ester IUPAC Name: [(2S,3S,4S)-4-amino-2-tetradecyloxolan-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,3S,4S)-4-amino-2-myristyl-tetrahydrofuran-3-yl] ester Formula: C25H43NO4S MolecularWeight: 453.67822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1C(C(CO1)N)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCCCCCCC[C@H]1[C@H]([C@H](CO1)N)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C25H43NO4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-24-25(23(26)20-29-24)30-31(27,28)22-18-16-21(2)17-19-22/h16-19,23-25H,3-15,20,26H2,1-2H3/t23-,24-,25-/m0/s1