[5-[[[(2R)-butan-2-yl]-(butylcarbamoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[[(2R)-butan-2-yl]-(butylcarbamoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[butylcarbamoyl-[(1R)-1-methylpropyl]amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[[(2R)-butan-2-yl]-[butylamino(oxo)methyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[[(2R)-butan-2-yl]-(butylcarbamoyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[butylcarbamoyl-[(1R)-1-methylpropyl]amino]methyl]-2-methoxy-phenyl] ester Formula: C19H32N2O5S MolecularWeight: 400.53278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)CC)C(C)CC

Isomeric SMILES

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

InChI

InChI=1S/C19H32N2O5S/c1-6-9-12-20-19(22)21(15(4)7-2)14-16-10-11-17(25-5)18(13-16)26-27(23,24)8-3/h10-11,13,15H,6-9,12,14H2,1-5H3,(H,20,22)/t15-/m1/s1