[4-[[(3,5-dimethoxyphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(3,5-dimethoxyphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(3,5-dimethoxyphenyl)carbamoyl-(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(3,5-dimethoxyanilino)-oxomethyl]-(2-oxolanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(3,5-dimethoxyphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(3,5-dimethoxyphenyl)carbamoyl-(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C22H28N2O7S MolecularWeight: 464.53192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)N(CC2CCCO2)CC3=CC=C(C=C3)OS(=O)(=O)C)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)N(CC2CCCO2)CC3=CC=C(C=C3)OS(=O)(=O)C)OC

InChI

InChI=1S/C22H28N2O7S/c1-28-20-11-17(12-21(13-20)29-2)23-22(25)24(15-19-5-4-10-30-19)14-16-6-8-18(9-7-16)31-32(3,26)27/h6-9,11-13,19H,4-5,10,14-15H2,1-3H3,(H,23,25)