[4-[[2-methoxyethyl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [4-[[2-methoxyethyl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [4-[[2-methoxyethyl(thiophene-2-carbonyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [4-[[2-methoxyethyl-[oxo(thiophen-2-yl)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[2-methoxyethyl(thiophene-2-carbonyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [4-[[2-methoxyethyl(2-thenoyl)amino]methyl]phenyl] ester Formula: C22H23NO6S2 MolecularWeight: 461.55112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)C(=O)C3=CC=CS3

Isomeric SMILES

COCCN(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)C(=O)C3=CC=CS3

InChI

InChI=1S/C22H23NO6S2/c1-27-14-13-23(22(24)21-4-3-15-30-21)16-17-5-7-19(8-6-17)29-31(25,26)20-11-9-18(28-2)10-12-20/h3-12,15H,13-14,16H2,1-2H3