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

Systemtic Name: [4-[[(4-ethoxyphenyl)carbamoyl-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(4-ethoxyphenyl)carbamoyl-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(4-ethoxyanilino)-oxomethyl]-(3-methoxypropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-ethoxyphenyl)carbamoyl-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[3-methoxypropyl(p-phenetylcarbamoyl)amino]methyl]phenyl] ester Formula: C21H28N2O6S MolecularWeight: 436.52182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)N(CCCOC)CC2=CC=C(C=C2)OS(=O)(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)N(CCCOC)CC2=CC=C(C=C2)OS(=O)(=O)C

InChI

InChI=1S/C21H28N2O6S/c1-4-28-19-12-8-18(9-13-19)22-21(24)23(14-5-15-27-2)16-17-6-10-20(11-7-17)29-30(3,25)26/h6-13H,4-5,14-16H2,1-3H3,(H,22,24)