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

Systemtic Name: [4-[[(4-bromophenyl)carbonyl-butan-2-yl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(4-bromobenzoyl)-sec-butyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(4-bromophenyl)-oxomethyl]-butan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[(4-bromobenzoyl)-butan-2-ylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(4-bromobenzoyl)-sec-butyl-amino]methyl]phenyl] ester Formula: C19H22BrNO4S MolecularWeight: 440.35128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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