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

Systemtic Name: [4-[[[(2S)-butan-2-yl]-(2-methylphenyl)carbonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(2-methylbenzoyl)-[(1S)-1-methylpropyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(2S)-butan-2-yl]-[(2-methylphenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[[(2S)-butan-2-yl]-(2-methylbenzoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[[(1S)-1-methylpropyl]-o-toluoyl-amino]methyl]phenyl] ester Formula: C20H25NO4S MolecularWeight: 375.4818

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)C2=CC=CC=C2C

Isomeric SMILES

CC[C@H](C)N(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)C2=CC=CC=C2C

InChI

InChI=1S/C20H25NO4S/c1-5-16(3)21(20(22)19-9-7-6-8-15(19)2)14-17-10-12-18(13-11-17)25-26(4,23)24/h6-13,16H,5,14H2,1-4H3/t16-/m0/s1