[4-[[(3-bromophenyl)carbonyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(3-bromophenyl)carbonyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(3-bromobenzoyl)-(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(3-bromophenyl)-oxomethyl]-(2-oxolanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(3-bromobenzoyl)-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(3-bromobenzoyl)-(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C20H22BrNO5S MolecularWeight: 468.36138

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2CCCO2)C(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2CCCO2)C(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H22BrNO5S/c1-28(24,25)27-18-9-7-15(8-10-18)13-22(14-19-6-3-11-26-19)20(23)16-4-2-5-17(21)12-16/h2,4-5,7-10,12,19H,3,6,11,13-14H2,1H3