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

Systemtic Name: [4-[[[(2R)-oxolan-2-yl]methyl-thiophen-2-ylcarbonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[[(2R)-tetrahydrofuran-2-yl]methyl-(thiophene-2-carbonyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(2R)-2-oxolanyl]methyl-[oxo(thiophen-2-yl)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[[(2R)-oxolan-2-yl]methyl-(thiophene-2-carbonyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[[(2R)-tetrahydrofuran-2-yl]methyl-(2-thenoyl)amino]methyl]phenyl] ester Formula: C18H21NO5S2 MolecularWeight: 395.49304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2CCCO2)C(=O)C3=CC=CS3

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CN(C[C@H]2CCCO2)C(=O)C3=CC=CS3

InChI

InChI=1S/C18H21NO5S2/c1-26(21,22)24-15-8-6-14(7-9-15)12-19(13-16-4-2-10-23-16)18(20)17-5-3-11-25-17/h3,5-9,11,16H,2,4,10,12-13H2,1H3/t16-/m1/s1