[2-methoxy-5-[[3-methylbutanoyl(2-methylpropyl)amino]methyl]phenyl] propane-2-sulfonate

Systemtic Name: [2-methoxy-5-[[3-methylbutanoyl(2-methylpropyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [5-[[isobutyl(3-methylbutanoyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [2-methoxy-5-[[3-methylbutanoyl(2-methylpropyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [5-[[isobutyl(isovaleryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C20H33NO5S MolecularWeight: 399.54472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33NO5S/c1-14(2)10-20(22)21(12-15(3)4)13-17-8-9-18(25-7)19(11-17)26-27(23,24)16(5)6/h8-9,11,14-16H,10,12-13H2,1-7H3