[4-[[(2,4-dimethylphenyl)carbamoyl-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(2,4-dimethylphenyl)carbamoyl-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(2,4-dimethylphenyl)carbamoyl-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(2,4-dimethylanilino)-oxomethyl]-(3-methoxypropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(2,4-dimethylphenyl)carbamoyl-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(2,4-dimethylphenyl)carbamoyl-(3-methoxypropyl)amino]methyl]phenyl] ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)N(CCCOC)CC2=CC=C(C=C2)OS(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)N(CCCOC)CC2=CC=C(C=C2)OS(=O)(=O)C)C

InChI

InChI=1S/C21H28N2O5S/c1-16-6-11-20(17(2)14-16)22-21(24)23(12-5-13-27-3)15-18-7-9-19(10-8-18)28-29(4,25)26/h6-11,14H,5,12-13,15H2,1-4H3,(H,22,24)