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

Systemtic Name: [4-[[[(2S)-butan-2-yl]-(2-methoxyphenyl)carbonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[(2-methoxybenzoyl)-[(1S)-1-methylpropyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[(2S)-butan-2-yl]-[(2-methoxyphenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[[(2S)-butan-2-yl]-(2-methoxybenzoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[[(1S)-1-methylpropyl]-o-anisoyl-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)OS(=O)(=O)CC)C(=O)C2=CC=CC=C2OC

Isomeric SMILES

CC[C@H](C)N(CC1=CC=C(C=C1)OS(=O)(=O)CC)C(=O)C2=CC=CC=C2OC

InChI

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