[4-[[2-dimethylaminoethyl(furan-2-ylcarbonyl)amino]methyl]phenyl] propane-2-sulfonate

Systemtic Name: [4-[[2-dimethylaminoethyl(furan-2-ylcarbonyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [4-[[2-dimethylaminoethyl(furan-2-carbonyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[[2-dimethylaminoethyl(furan-2-carbonyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[[2-dimethylaminoethyl(2-furoyl)amino]methyl]phenyl] ester Formula: C19H26N2O5S MolecularWeight: 394.48514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC1=CC=C(C=C1)CN(CCN(C)C)C(=O)C2=CC=CO2

Isomeric SMILES

CC(C)S(=O)(=O)OC1=CC=C(C=C1)CN(CCN(C)C)C(=O)C2=CC=CO2

InChI

InChI=1S/C19H26N2O5S/c1-15(2)27(23,24)26-17-9-7-16(8-10-17)14-21(12-11-20(3)4)19(22)18-6-5-13-25-18/h5-10,13,15H,11-12,14H2,1-4H3