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

Systemtic Name: [3-[[butan-2-yl-(4-methylphenyl)carbonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[(4-methylbenzoyl)-sec-butyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[butan-2-yl-[(4-methylphenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl-(4-methylbenzoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[p-toluoyl(sec-butyl)amino]methyl]phenyl] ester Formula: C20H25NO4S MolecularWeight: 375.4818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO4S/c1-5-16(3)21(20(22)18-11-9-15(2)10-12-18)14-17-7-6-8-19(13-17)25-26(4,23)24/h6-13,16H,5,14H2,1-4H3