[4-[[(4-bromophenyl)carbonyl-(3-methylbutyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(4-bromophenyl)carbonyl-(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(4-bromobenzoyl)-isopentyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(4-bromophenyl)-oxomethyl]-(3-methylbutyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-bromobenzoyl)-(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(4-bromobenzoyl)-isoamyl-amino]methyl]phenyl] ester Formula: C20H24BrNO4S MolecularWeight: 454.37786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)CCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C20H24BrNO4S/c1-15(2)12-13-22(20(23)17-6-8-18(21)9-7-17)14-16-4-10-19(11-5-16)26-27(3,24)25/h4-11,15H,12-14H2,1-3H3