[4-[[3-methylbutanoyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[3-methylbutanoyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[3-methylbutanoyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[(3-methyl-1-oxobutyl)-[[(2R)-2-oxolanyl]methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[3-methylbutanoyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[isovaleryl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]methyl]phenyl] ester Formula: C18H27NO5S MolecularWeight: 369.47568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO5S/c1-14(2)11-18(20)19(13-17-5-4-10-23-17)12-15-6-8-16(9-7-15)24-25(3,21)22/h6-9,14,17H,4-5,10-13H2,1-3H3/t17-/m1/s1