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

Systemtic Name: [4-[[(2-bromophenyl)carbonyl-butan-2-yl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(2-bromobenzoyl)-sec-butyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(2-bromophenyl)-oxomethyl]-butan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[(2-bromobenzoyl)-butan-2-ylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(2-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=CC=C2Br

Isomeric SMILES

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)C2=CC=CC=C2Br

InChI

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