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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)N(CCCOC)CC2=CC=C(C=C2)OS(=O)(=O)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)N(CCCOC)CC2=CC=C(C=C2)OS(=O)(=O)C

InChI

InChI=1S/C21H28N2O5S/c1-4-18-8-5-6-9-20(18)22-21(24)23(14-7-15-27-2)16-17-10-12-19(13-11-17)28-29(3,25)26/h5-6,8-13H,4,7,14-16H2,1-3H3,(H,22,24)