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

Systemtic Name: [5-[[2-dimethylaminoethyl(3-methylbutanoyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate Openeye Name: [5-[[2-dimethylaminoethyl(3-methylbutanoyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [5-[[2-dimethylaminoethyl(3-methylbutanoyl)amino]methyl]-2-methoxyphenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [5-[[2-dimethylaminoethyl(isovaleryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C20H34N2O5S MolecularWeight: 414.55936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34N2O5S/c1-15(2)12-20(23)22(11-10-21(5)6)14-17-8-9-18(26-7)19(13-17)27-28(24,25)16(3)4/h8-9,13,15-16H,10-12,14H2,1-7H3