[5-[[tert-butylcarbamoyl(oxolan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate

Systemtic Name: [5-[[tert-butylcarbamoyl(oxolan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate Openeye Name: [5-[[tert-butylcarbamoyl(tetrahydrofuran-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [5-[[tert-butylcarbamoyl(oxolan-2-ylmethyl)amino]methyl]-2-methoxyphenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [5-[[tert-butylcarbamoyl(tetrahydrofurfuryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C21H34N2O6S MolecularWeight: 442.56946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC1=C(C=CC(=C1)CN(CC2CCCO2)C(=O)NC(C)(C)C)OC

Isomeric SMILES

CC(C)S(=O)(=O)OC1=C(C=CC(=C1)CN(CC2CCCO2)C(=O)NC(C)(C)C)OC

InChI

InChI=1S/C21H34N2O6S/c1-15(2)30(25,26)29-19-12-16(9-10-18(19)27-6)13-23(14-17-8-7-11-28-17)20(24)22-21(3,4)5/h9-10,12,15,17H,7-8,11,13-14H2,1-6H3,(H,22,24)