[5-[[(4-ethylphenyl)carbonyl-(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[(4-ethylphenyl)carbonyl-(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[(4-ethylbenzoyl)-isobutyl-amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[[(4-ethylphenyl)-oxomethyl]-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(4-ethylbenzoyl)-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[(4-ethylbenzoyl)-isobutyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C22H29NO5S MolecularWeight: 419.53436

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)C)CC(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)C)CC(C)C

InChI

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