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

Systemtic Name: [3-[[2-dimethylaminoethyl(ethanoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [3-[[acetyl(2-dimethylaminoethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [3-[[acetyl(2-dimethylaminoethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[acetyl(2-dimethylaminoethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [3-[[acetyl(2-dimethylaminoethyl)amino]methyl]phenyl] ester Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O5S/c1-16(23)22(13-12-21(2)3)15-17-6-5-7-19(14-17)27-28(24,25)20-10-8-18(26-4)9-11-20/h5-11,14H,12-13,15H2,1-4H3