[4-[[3-methylbutyl-(2-methylphenyl)carbonyl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[3-methylbutyl-(2-methylphenyl)carbonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[isopentyl-(2-methylbenzoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[3-methylbutyl-[(2-methylphenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[(2-methylbenzoyl)-(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[isoamyl(o-toluoyl)amino]methyl]phenyl] ester Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N(CCC(C)C)CC2=CC=C(C=C2)OS(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)N(CCC(C)C)CC2=CC=C(C=C2)OS(=O)(=O)C

InChI

InChI=1S/C21H27NO4S/c1-16(2)13-14-22(21(23)20-8-6-5-7-17(20)3)15-18-9-11-19(12-10-18)26-27(4,24)25/h5-12,16H,13-15H2,1-4H3