[4-[[(4-butylphenyl)carbonyl-(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(4-butylphenyl)carbonyl-(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(4-butylbenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(4-butylphenyl)-oxomethyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-butylbenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(4-butylbenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C22H29NO5S MolecularWeight: 419.53436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N(CCOC)CC2=CC=C(C=C2)OS(=O)(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N(CCOC)CC2=CC=C(C=C2)OS(=O)(=O)C

InChI

InChI=1S/C22H29NO5S/c1-4-5-6-18-7-11-20(12-8-18)22(24)23(15-16-27-2)17-19-9-13-21(14-10-19)28-29(3,25)26/h7-14H,4-6,15-17H2,1-3H3