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

Systemtic Name: [5-[[(4-bromophenyl)carbonyl-(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[(4-bromobenzoyl)-isobutyl-amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[[(4-bromophenyl)-oxomethyl]-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(4-bromobenzoyl)-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[(4-bromobenzoyl)-isobutyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C20H24BrNO5S MolecularWeight: 470.37726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)CN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C20H24BrNO5S/c1-14(2)12-22(20(23)16-6-8-17(21)9-7-16)13-15-5-10-18(26-3)19(11-15)27-28(4,24)25/h5-11,14H,12-13H2,1-4H3