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

Systemtic Name: [3-[[furan-2-ylcarbonyl(2-methylpropyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [3-[[furan-2-carbonyl(isobutyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [3-[[[2-furanyl(oxo)methyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-carbonyl(2-methylpropyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [3-[[2-furoyl(isobutyl)amino]methyl]phenyl] ester Formula: C23H25NO6S MolecularWeight: 443.5127

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO6S/c1-17(2)15-24(23(25)22-8-5-13-29-22)16-18-6-4-7-20(14-18)30-31(26,27)21-11-9-19(28-3)10-12-21/h4-14,17H,15-16H2,1-3H3