[3-[[(4-bromophenyl)sulfonyl-propan-2-yl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[(4-bromophenyl)sulfonyl-propan-2-yl-amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[(4-bromophenyl)sulfonyl-isopropyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[(4-bromophenyl)sulfonyl-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(4-bromophenyl)sulfonyl-propan-2-ylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[brosyl(isopropyl)amino]methyl]phenyl] ester Formula: C17H20BrNO5S2 MolecularWeight: 462.3784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20BrNO5S2/c1-13(2)19(26(22,23)17-9-7-15(18)8-10-17)12-14-5-4-6-16(11-14)24-25(3,20)21/h4-11,13H,12H2,1-3H3