[3-[[3,3-dimethylbutanoyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [3-[[3,3-dimethylbutanoyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [3-[[3,3-dimethylbutanoyl(2-furylmethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [3-[[(3,3-dimethyl-1-oxobutyl)-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[3,3-dimethylbutanoyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [3-[[3,3-dimethylbutanoyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C25H29NO6S MolecularWeight: 471.56586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)CC3=CC=CO3

Isomeric SMILES

CC(C)(C)CC(=O)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)CC3=CC=CO3

InChI

InChI=1S/C25H29NO6S/c1-25(2,3)16-24(27)26(18-22-9-6-14-31-22)17-19-7-5-8-21(15-19)32-33(28,29)23-12-10-20(30-4)11-13-23/h5-15H,16-18H2,1-4H3