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

Systemtic Name: [4-[[[(2S)-butan-2-yl]-(3-methoxyphenyl)carbonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(3-methoxybenzoyl)-[(1S)-1-methylpropyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(2S)-butan-2-yl]-[(3-methoxyphenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[[(2S)-butan-2-yl]-(3-methoxybenzoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[m-anisoyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] ester Formula: C20H25NO5S MolecularWeight: 391.4812

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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=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO5S/c1-5-15(2)21(20(22)17-7-6-8-19(13-17)25-3)14-16-9-11-18(12-10-16)26-27(4,23)24/h6-13,15H,5,14H2,1-4H3/t15-/m0/s1