[3-[[oxolan-2-ylmethyl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[oxolan-2-ylmethyl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[tetrahydrofuran-2-ylmethyl(thiophene-2-carbonyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-oxolanylmethyl-[oxo(thiophen-2-yl)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[oxolan-2-ylmethyl(thiophene-2-carbonyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[tetrahydrofurfuryl(2-thenoyl)amino]methyl]phenyl] ester Formula: C19H23NO5S2 MolecularWeight: 409.51962

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2CCCO2)C(=O)C3=CC=CS3

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2CCCO2)C(=O)C3=CC=CS3

InChI

InChI=1S/C19H23NO5S2/c1-2-27(22,23)25-16-7-3-6-15(12-16)13-20(14-17-8-4-10-24-17)19(21)18-9-5-11-26-18/h3,5-7,9,11-12,17H,2,4,8,10,13-14H2,1H3