[4-[[(2,4-dimethylphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(2,4-dimethylphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(2,4-dimethylphenyl)carbamoyl-(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(2,4-dimethylanilino)-oxomethyl]-(2-oxolanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(2,4-dimethylphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(2,4-dimethylphenyl)carbamoyl-(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)N(CC2CCCO2)CC3=CC=C(C=C3)OS(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)N(CC2CCCO2)CC3=CC=C(C=C3)OS(=O)(=O)C)C

InChI

InChI=1S/C22H28N2O5S/c1-16-6-11-21(17(2)13-16)23-22(25)24(15-20-5-4-12-28-20)14-18-7-9-19(10-8-18)29-30(3,26)27/h6-11,13,20H,4-5,12,14-15H2,1-3H3,(H,23,25)