[3-[[(2-chloranyl-2-phenyl-ethanoyl)-(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[(2-chloranyl-2-phenyl-ethanoyl)-(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[(2-chloro-2-phenyl-acetyl)-(2-furylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[(2-chloro-1-oxo-2-phenylethyl)-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(2-chloro-2-phenylacetyl)-(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[(2-chloro-2-phenyl-acetyl)-(2-furfuryl)amino]methyl]phenyl] ester Formula: C21H20ClNO5S MolecularWeight: 433.9052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClNO5S/c1-29(25,26)28-18-10-5-7-16(13-18)14-23(15-19-11-6-12-27-19)21(24)20(22)17-8-3-2-4-9-17/h2-13,20H,14-15H2,1H3