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

Systemtic Name: [4-[[2-dimethylaminoethyl(2-methoxyethanoyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [4-[[2-dimethylaminoethyl-(2-methoxyacetyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[[2-dimethylaminoethyl-(2-methoxyacetyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[[2-dimethylaminoethyl-(2-methoxyacetyl)amino]methyl]phenyl] ester Formula: C17H28N2O5S MolecularWeight: 372.47962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O5S/c1-14(2)25(21,22)24-16-8-6-15(7-9-16)12-19(11-10-18(3)4)17(20)13-23-5/h6-9,14H,10-13H2,1-5H3