[3-[[2-dimethylaminoethyl(2-methylpropanoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [3-[[2-dimethylaminoethyl(2-methylpropanoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [3-[[2-dimethylaminoethyl(2-methylpropanoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [3-[[2-dimethylaminoethyl-(2-methyl-1-oxopropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[2-dimethylaminoethyl(2-methylpropanoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [3-[[2-dimethylaminoethyl(isobutyryl)amino]methyl]phenyl] ester Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N(CCN(C)C)CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)C(=O)N(CCN(C)C)CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C22H30N2O5S/c1-17(2)22(25)24(14-13-23(3)4)16-18-7-6-8-20(15-18)29-30(26,27)21-11-9-19(28-5)10-12-21/h6-12,15,17H,13-14,16H2,1-5H3