[5-[[(3-bromophenyl)carbamoyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[(3-bromophenyl)carbamoyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[(3-bromophenyl)carbamoyl-isopropyl-amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[[(3-bromoanilino)-oxomethyl]-propan-2-ylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(3-bromophenyl)carbamoyl-propan-2-ylamino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[(3-bromophenyl)carbamoyl-isopropyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C19H23BrN2O5S MolecularWeight: 471.36532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23BrN2O5S/c1-13(2)22(19(23)21-16-7-5-6-15(20)11-16)12-14-8-9-17(26-3)18(10-14)27-28(4,24)25/h5-11,13H,12H2,1-4H3,(H,21,23)