[4-[[(3,5-dimethoxyphenyl)carbamoyl-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(3,5-dimethoxyphenyl)carbamoyl-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(3,5-dimethoxyphenyl)carbamoyl-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(3,5-dimethoxyanilino)-oxomethyl]-(3-methoxypropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(3,5-dimethoxyphenyl)carbamoyl-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(3,5-dimethoxyphenyl)carbamoyl-(3-methoxypropyl)amino]methyl]phenyl] ester Formula: C21H28N2O7S MolecularWeight: 452.52122

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)NC2=CC(=CC(=C2)OC)OC

Isomeric SMILES

COCCCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)NC2=CC(=CC(=C2)OC)OC

InChI

InChI=1S/C21H28N2O7S/c1-27-11-5-10-23(15-16-6-8-18(9-7-16)30-31(4,25)26)21(24)22-17-12-19(28-2)14-20(13-17)29-3/h6-9,12-14H,5,10-11,15H2,1-4H3,(H,22,24)