[4-[[(phenylmethyl)-(2-thiophen-2-ylethanoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(phenylmethyl)-(2-thiophen-2-ylethanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[benzyl-[2-(2-thienyl)acetyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[(1-oxo-2-thiophen-2-ylethyl)-(phenylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[benzyl-(2-thiophen-2-ylacetyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[benzyl-[2-(2-thienyl)acetyl]amino]methyl]phenyl] ester Formula: C21H21NO4S2 MolecularWeight: 415.52574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)CC3=CC=CS3

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)CC3=CC=CS3

InChI

InChI=1S/C21H21NO4S2/c1-28(24,25)26-19-11-9-18(10-12-19)16-22(15-17-6-3-2-4-7-17)21(23)14-20-8-5-13-27-20/h2-13H,14-16H2,1H3