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

Systemtic Name: [4-[[3,3-dimethylbutanoyl(furan-2-ylmethyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [4-[[3,3-dimethylbutanoyl(2-furylmethyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[[3,3-dimethylbutanoyl(furan-2-ylmethyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[[3,3-dimethylbutanoyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C21H29NO5S MolecularWeight: 407.52366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CO2)C(=O)CC(C)(C)C

Isomeric SMILES

CC(C)S(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CO2)C(=O)CC(C)(C)C

InChI

InChI=1S/C21H29NO5S/c1-16(2)28(24,25)27-18-10-8-17(9-11-18)14-22(15-19-7-6-12-26-19)20(23)13-21(3,4)5/h6-12,16H,13-15H2,1-5H3