[4-[[(4-bromophenyl)carbamoyl-butan-2-yl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(4-bromophenyl)carbamoyl-butan-2-yl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(4-bromophenyl)carbamoyl-sec-butyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(4-bromoanilino)-oxomethyl]-butan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[(4-bromophenyl)carbamoyl-butan-2-ylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(4-bromophenyl)carbamoyl-sec-butyl-amino]methyl]phenyl] ester Formula: C19H23BrN2O4S MolecularWeight: 455.36592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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