[5-[[cyclopropyl(3,3-dimethylbutanoyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate

Systemtic Name: [5-[[cyclopropyl(3,3-dimethylbutanoyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate Openeye Name: [5-[[cyclopropyl(3,3-dimethylbutanoyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [5-[[cyclopropyl(3,3-dimethylbutanoyl)amino]methyl]-2-methoxyphenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [5-[[cyclopropyl(3,3-dimethylbutanoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C20H31NO5S MolecularWeight: 397.52884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC1=C(C=CC(=C1)CN(C2CC2)C(=O)CC(C)(C)C)OC

Isomeric SMILES

CC(C)S(=O)(=O)OC1=C(C=CC(=C1)CN(C2CC2)C(=O)CC(C)(C)C)OC

InChI

InChI=1S/C20H31NO5S/c1-14(2)27(23,24)26-18-11-15(7-10-17(18)25-6)13-21(16-8-9-16)19(22)12-20(3,4)5/h7,10-11,14,16H,8-9,12-13H2,1-6H3