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

Systemtic Name: [3-[[[(2S)-butan-2-yl]-(3-methoxyphenyl)carbonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(3-methoxybenzoyl)-[(1S)-1-methylpropyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(2S)-butan-2-yl]-[(3-methoxyphenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[[(2S)-butan-2-yl]-(3-methoxybenzoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[m-anisoyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] ester Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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