[5-[[[(2S)-butan-2-yl]-(4-methylphenyl)carbonyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[[(2S)-butan-2-yl]-(4-methylphenyl)carbonyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [2-methoxy-5-[[(4-methylbenzoyl)-[(1S)-1-methylpropyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[[(2S)-butan-2-yl]-[(4-methylphenyl)-oxomethyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[[(2S)-butan-2-yl]-(4-methylbenzoyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [2-methoxy-5-[[[(1S)-1-methylpropyl]-p-toluoyl-amino]methyl]phenyl] ester Formula: C22H29NO5S MolecularWeight: 419.53436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO5S/c1-6-17(4)23(22(24)19-11-8-16(3)9-12-19)15-18-10-13-20(27-5)21(14-18)28-29(25,26)7-2/h8-14,17H,6-7,15H2,1-5H3/t17-/m0/s1