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

Systemtic Name: [3-[[2-methylpropyl(2-thiophen-2-ylethanoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[isobutyl-[2-(2-thienyl)acetyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-methylpropyl-(1-oxo-2-thiophen-2-ylethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methylpropyl-(2-thiophen-2-ylacetyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[isobutyl-[2-(2-thienyl)acetyl]amino]methyl]phenyl] ester Formula: C19H25NO4S2 MolecularWeight: 395.5361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO4S2/c1-4-26(22,23)24-17-8-5-7-16(11-17)14-20(13-15(2)3)19(21)12-18-9-6-10-25-18/h5-11,15H,4,12-14H2,1-3H3