[5-[[butan-2-yl(tert-butylcarbamoyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate

Systemtic Name: [5-[[butan-2-yl(tert-butylcarbamoyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate Openeye Name: [5-[[tert-butylcarbamoyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [5-[[butan-2-yl(tert-butylcarbamoyl)amino]methyl]-2-methoxyphenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [5-[[tert-butylcarbamoyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C20H34N2O5S MolecularWeight: 414.55936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34N2O5S/c1-9-15(4)22(19(23)21-20(5,6)7)13-16-10-11-17(26-8)18(12-16)27-28(24,25)14(2)3/h10-12,14-15H,9,13H2,1-8H3,(H,21,23)