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

Systemtic Name: [3-[[propan-2-yl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[isopropyl(thiophene-2-carbonyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[oxo(thiophen-2-yl)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[propan-2-yl(thiophene-2-carbonyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[isopropyl(2-thenoyl)amino]methyl]phenyl] ester Formula: C17H21NO4S2 MolecularWeight: 367.48294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO4S2/c1-4-24(20,21)22-15-8-5-7-14(11-15)12-18(13(2)3)17(19)16-9-6-10-23-16/h5-11,13H,4,12H2,1-3H3