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

Systemtic Name: [4-[[2-dimethylaminoethyl(3-methylbutanoyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [4-[[2-dimethylaminoethyl(3-methylbutanoyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[[2-dimethylaminoethyl(3-methylbutanoyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[[2-dimethylaminoethyl(isovaleryl)amino]methyl]phenyl] ester Formula: C19H32N2O4S MolecularWeight: 384.53338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32N2O4S/c1-15(2)13-19(22)21(12-11-20(5)6)14-17-7-9-18(10-8-17)25-26(23,24)16(3)4/h7-10,15-16H,11-14H2,1-6H3