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

Systemtic Name: [5-[[(4-butoxyphenyl)carbonyl-(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[(4-butoxybenzoyl)-isobutyl-amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[[(4-butoxyphenyl)-oxomethyl]-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(4-butoxybenzoyl)-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[(4-butoxybenzoyl)-isobutyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C24H33NO6S MolecularWeight: 463.58692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)C)CC(C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)C)CC(C)C

InChI

InChI=1S/C24H33NO6S/c1-6-7-14-30-21-11-9-20(10-12-21)24(26)25(16-18(2)3)17-19-8-13-22(29-4)23(15-19)31-32(5,27)28/h8-13,15,18H,6-7,14,16-17H2,1-5H3