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

Systemtic Name: [4-[[(4-bromophenyl)carbamoyl-butyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(4-bromophenyl)carbamoyl-butyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(4-bromoanilino)-oxomethyl]-butylamino]methyl]phenyl] ester IUPAC Name: [4-[[(4-bromophenyl)carbamoyl-butylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(4-bromophenyl)carbamoyl-butyl-amino]methyl]phenyl] ester Formula: C19H23BrN2O4S MolecularWeight: 455.36592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

CCCCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C19H23BrN2O4S/c1-3-4-13-22(19(23)21-17-9-7-16(20)8-10-17)14-15-5-11-18(12-6-15)26-27(2,24)25/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)