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

Systemtic Name: [4-[[2-methoxyethyl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[2-methoxyethyl(thiophene-2-carbonyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[2-methoxyethyl-[oxo(thiophen-2-yl)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[2-methoxyethyl(thiophene-2-carbonyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[2-methoxyethyl(2-thenoyl)amino]methyl]phenyl] ester Formula: C17H21NO5S2 MolecularWeight: 383.48234

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=C(C=C1)CN(CCOC)C(=O)C2=CC=CS2

Isomeric SMILES

CCS(=O)(=O)OC1=CC=C(C=C1)CN(CCOC)C(=O)C2=CC=CS2

InChI

InChI=1S/C17H21NO5S2/c1-3-25(20,21)23-15-8-6-14(7-9-15)13-18(10-11-22-2)17(19)16-5-4-12-24-16/h4-9,12H,3,10-11,13H2,1-2H3