[4-[[(2-chlorophenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(2-chlorophenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(2-chlorobenzoyl)-(2-furylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(2-chlorophenyl)-oxomethyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(2-chlorobenzoyl)-(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(2-chlorobenzoyl)-(2-furfuryl)amino]methyl]phenyl] ester Formula: C20H18ClNO5S MolecularWeight: 419.87862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CO2)C(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CO2)C(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H18ClNO5S/c1-28(24,25)27-16-10-8-15(9-11-16)13-22(14-17-5-4-12-26-17)20(23)18-6-2-3-7-19(18)21/h2-12H,13-14H2,1H3