[4-[[heptanoyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[heptanoyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[heptanoyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[1-oxoheptyl-[[(2R)-2-oxolanyl]methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[heptanoyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[enanthyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]methyl]phenyl] ester Formula: C20H31NO5S MolecularWeight: 397.52884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)N(CC1CCCO1)CC2=CC=C(C=C2)OS(=O)(=O)C

Isomeric SMILES

CCCCCCC(=O)N(C[C@H]1CCCO1)CC2=CC=C(C=C2)OS(=O)(=O)C

InChI

InChI=1S/C20H31NO5S/c1-3-4-5-6-9-20(22)21(16-19-8-7-14-25-19)15-17-10-12-18(13-11-17)26-27(2,23)24/h10-13,19H,3-9,14-16H2,1-2H3/t19-/m1/s1