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

Systemtic Name: [3-[[propan-2-yl(2-thiophen-2-ylethanoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[isopropyl-[2-(2-thienyl)acetyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[(1-oxo-2-thiophen-2-ylethyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[propan-2-yl-(2-thiophen-2-ylacetyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[isopropyl-[2-(2-thienyl)acetyl]amino]methyl]phenyl] ester Formula: C18H23NO4S2 MolecularWeight: 381.50952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO4S2/c1-4-25(21,22)23-16-8-5-7-15(11-16)13-19(14(2)3)18(20)12-17-9-6-10-24-17/h5-11,14H,4,12-13H2,1-3H3