[4-[[(3-bromophenyl)carbonyl-butyl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(3-bromophenyl)carbonyl-butyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(3-bromobenzoyl)-butyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(3-bromophenyl)-oxomethyl]-butylamino]methyl]phenyl] ester IUPAC Name: [4-[[(3-bromobenzoyl)-butylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(3-bromobenzoyl)-butyl-amino]methyl]phenyl] ester Formula: C19H22BrNO4S MolecularWeight: 440.35128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

CCCCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C19H22BrNO4S/c1-3-4-12-21(19(22)16-6-5-7-17(20)13-16)14-15-8-10-18(11-9-15)25-26(2,23)24/h5-11,13H,3-4,12,14H2,1-2H3