[5-[[[(2S)-butan-2-yl]-(2-methylphenyl)carbonyl-amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[[(2S)-butan-2-yl]-(2-methylphenyl)carbonyl-amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [2-methoxy-5-[[(2-methylbenzoyl)-[(1S)-1-methylpropyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[[(2S)-butan-2-yl]-[(2-methylphenyl)-oxomethyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[[(2S)-butan-2-yl]-(2-methylbenzoyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-methoxy-5-[[[(1S)-1-methylpropyl]-o-toluoyl-amino]methyl]phenyl] ester Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO5S/c1-6-16(3)22(21(23)18-10-8-7-9-15(18)2)14-17-11-12-19(26-4)20(13-17)27-28(5,24)25/h7-13,16H,6,14H2,1-5H3/t16-/m0/s1