[3-[[2-methoxyethanoyl(propan-2-yl)amino]methyl]phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [3-[[2-methoxyethanoyl(propan-2-yl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [3-[[isopropyl-(2-methoxyacetyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [3-[[(2-methoxy-1-oxoethyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(2-methoxyacetyl)-propan-2-ylamino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [3-[[isopropyl-(2-methoxyacetyl)amino]methyl]phenyl] ester Formula: C20H25NO6S MolecularWeight: 407.4806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)C(=O)COC

Isomeric SMILES

CC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)C(=O)COC

InChI

InChI=1S/C20H25NO6S/c1-15(2)21(20(22)14-25-3)13-16-6-5-7-18(12-16)27-28(23,24)19-10-8-17(26-4)9-11-19/h5-12,15H,13-14H2,1-4H3