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

Systemtic Name: [4-[[(4-bromophenyl)sulfonyl-butyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(4-bromophenyl)sulfonyl-butyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[(4-bromophenyl)sulfonyl-butylamino]methyl]phenyl] ester IUPAC Name: [4-[[(4-bromophenyl)sulfonyl-butylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[brosyl(butyl)amino]methyl]phenyl] ester Formula: C18H22BrNO5S2 MolecularWeight: 476.40498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrNO5S2/c1-3-4-13-20(27(23,24)18-11-7-16(19)8-12-18)14-15-5-9-17(10-6-15)25-26(2,21)22/h5-12H,3-4,13-14H2,1-2H3