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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24BrNO5S/c1-5-14(2)22(20(23)16-7-9-17(21)10-8-16)13-15-6-11-18(26-3)19(12-15)27-28(4,24)25/h6-12,14H,5,13H2,1-4H3