[3-[[2-methoxyethyl(2-thiophen-2-ylethanoyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[2-methoxyethyl(2-thiophen-2-ylethanoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[2-methoxyethyl-[2-(2-thienyl)acetyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-methoxyethyl-(1-oxo-2-thiophen-2-ylethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[2-methoxyethyl-[2-(2-thienyl)acetyl]amino]methyl]phenyl] ester Formula: C18H23NO5S2 MolecularWeight: 397.50892

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CCOC)C(=O)CC2=CC=CS2

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CCOC)C(=O)CC2=CC=CS2

InChI

InChI=1S/C18H23NO5S2/c1-3-26(21,22)24-16-7-4-6-15(12-16)14-19(9-10-23-2)18(20)13-17-8-5-11-25-17/h4-8,11-12H,3,9-10,13-14H2,1-2H3