[2-methoxy-5-[[propan-2-yl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [2-methoxy-5-[[propan-2-yl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [5-[[isopropyl(thiophene-2-carbonyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-methoxy-5-[[[oxo(thiophen-2-yl)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[propan-2-yl(thiophene-2-carbonyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[isopropyl(2-thenoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C18H23NO5S2 MolecularWeight: 397.50892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO5S2/c1-5-26(21,22)24-16-11-14(8-9-15(16)23-4)12-19(13(2)3)18(20)17-7-6-10-25-17/h6-11,13H,5,12H2,1-4H3