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

Systemtic Name: [3-[[furan-2-ylmethyl(2-methylpropanoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [3-[[2-furylmethyl(2-methylpropanoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [3-[[2-furanylmethyl-(2-methyl-1-oxopropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-ylmethyl(2-methylpropanoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [3-[[2-furfuryl(isobutyryl)amino]methyl]phenyl] ester Formula: C23H25NO6S MolecularWeight: 443.5127

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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