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

Systemtic Name: [5-[[[(2S)-butan-2-yl]-(2-methylphenyl)carbonyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [2-methoxy-5-[[(2-methylbenzoyl)-[(1S)-1-methylpropyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic 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] ethanesulfonate Traditional Name: ethanesulfonic acid [2-methoxy-5-[[[(1S)-1-methylpropyl]-o-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=CC=C2C

Isomeric SMILES

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

InChI

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