[5-[[furan-2-ylmethyl-[(3-methylphenyl)carbamoyl]amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[furan-2-ylmethyl-[(3-methylphenyl)carbamoyl]amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[2-furylmethyl(m-tolylcarbamoyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[2-furanylmethyl-[(3-methylanilino)-oxomethyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[furan-2-ylmethyl-[(3-methylphenyl)carbamoyl]amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[2-furfuryl(m-tolylcarbamoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)C)CC3=CC=CO3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)C)CC3=CC=CO3

InChI

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