[5-[[butylcarbamoyl(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[butylcarbamoyl(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[butylcarbamoyl(isobutyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[[butylamino(oxo)methyl]-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butylcarbamoyl(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[butylcarbamoyl(isobutyl)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)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H32N2O5S/c1-6-8-11-20-19(22)21(13-15(3)4)14-16-9-10-17(25-5)18(12-16)26-27(23,24)7-2/h9-10,12,15H,6-8,11,13-14H2,1-5H3,(H,20,22)