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

Systemtic Name: [4-[[cyclopropyl(furan-2-ylcarbonyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [4-[[cyclopropyl(furan-2-carbonyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[[cyclopropyl(furan-2-carbonyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[[cyclopropyl(2-furoyl)amino]methyl]phenyl] ester Formula: C18H21NO5S MolecularWeight: 363.42804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC1=CC=C(C=C1)CN(C2CC2)C(=O)C3=CC=CO3

Isomeric SMILES

CC(C)S(=O)(=O)OC1=CC=C(C=C1)CN(C2CC2)C(=O)C3=CC=CO3

InChI

InChI=1S/C18H21NO5S/c1-13(2)25(21,22)24-16-9-5-14(6-10-16)12-19(15-7-8-15)18(20)17-4-3-11-23-17/h3-6,9-11,13,15H,7-8,12H2,1-2H3