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

Systemtic Name: [3-[[2-dimethylaminoethyl(furan-2-ylcarbonyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [3-[[2-dimethylaminoethyl(furan-2-carbonyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [3-[[2-dimethylaminoethyl-[2-furanyl(oxo)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[2-dimethylaminoethyl(furan-2-carbonyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [3-[[2-dimethylaminoethyl(2-furoyl)amino]methyl]phenyl] ester Formula: C23H26N2O6S MolecularWeight: 458.52734

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)C(=O)C3=CC=CO3

Isomeric SMILES

CN(C)CCN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)C(=O)C3=CC=CO3

InChI

InChI=1S/C23H26N2O6S/c1-24(2)13-14-25(23(26)22-8-5-15-30-22)17-18-6-4-7-20(16-18)31-32(27,28)21-11-9-19(29-3)10-12-21/h4-12,15-16H,13-14,17H2,1-3H3