[4-[[2-dimethylaminoethyl(3,3-dimethylbutanoyl)amino]methyl]phenyl] propane-2-sulfonate

Systemtic Name: [4-[[2-dimethylaminoethyl(3,3-dimethylbutanoyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [4-[[2-dimethylaminoethyl(3,3-dimethylbutanoyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[[2-dimethylaminoethyl(3,3-dimethylbutanoyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[[2-dimethylaminoethyl(3,3-dimethylbutanoyl)amino]methyl]phenyl] ester Formula: C20H34N2O4S MolecularWeight: 398.55996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34N2O4S/c1-16(2)27(24,25)26-18-10-8-17(9-11-18)15-22(13-12-21(6)7)19(23)14-20(3,4)5/h8-11,16H,12-15H2,1-7H3