[3-[[(4-ethoxyphenyl)carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[(4-ethoxyphenyl)carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[(4-ethoxyphenyl)carbamoyl-(2-furylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[[(4-ethoxyanilino)-oxomethyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(4-ethoxyphenyl)carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[2-furfuryl(p-phenetylcarbamoyl)amino]methyl]phenyl] ester Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C)CC3=CC=CO3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C)CC3=CC=CO3

InChI

InChI=1S/C22H24N2O6S/c1-3-28-19-11-9-18(10-12-19)23-22(25)24(16-21-8-5-13-29-21)15-17-6-4-7-20(14-17)30-31(2,26)27/h4-14H,3,15-16H2,1-2H3,(H,23,25)