[4-[[2-methoxyethanoyl(2-methoxyethyl)amino]methyl]phenyl] propane-2-sulfonate

Systemtic Name: [4-[[2-methoxyethanoyl(2-methoxyethyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [4-[[(2-methoxyacetyl)-(2-methoxyethyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[[(2-methoxyacetyl)-(2-methoxyethyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[[(2-methoxyacetyl)-(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C16H25NO6S MolecularWeight: 359.4378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC1=CC=C(C=C1)CN(CCOC)C(=O)COC

Isomeric SMILES

CC(C)S(=O)(=O)OC1=CC=C(C=C1)CN(CCOC)C(=O)COC

InChI

InChI=1S/C16H25NO6S/c1-13(2)24(19,20)23-15-7-5-14(6-8-15)11-17(9-10-21-3)16(18)12-22-4/h5-8,13H,9-12H2,1-4H3