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

Systemtic Name: [5-[[2-dimethylaminoethyl(3,3-dimethylbutanoyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate Openeye Name: [5-[[2-dimethylaminoethyl(3,3-dimethylbutanoyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [5-[[2-dimethylaminoethyl(3,3-dimethylbutanoyl)amino]methyl]-2-methoxyphenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [5-[[2-dimethylaminoethyl(3,3-dimethylbutanoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C21H36N2O5S MolecularWeight: 428.58594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36N2O5S/c1-16(2)29(25,26)28-19-13-17(9-10-18(19)27-8)15-23(12-11-22(6)7)20(24)14-21(3,4)5/h9-10,13,16H,11-12,14-15H2,1-8H3