[3-[[ethylcarbamoyl(furan-2-ylmethyl)amino]methyl]phenyl] propane-2-sulfonate

Systemtic Name: [3-[[ethylcarbamoyl(furan-2-ylmethyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [3-[[ethylcarbamoyl(2-furylmethyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [3-[[ethylcarbamoyl(furan-2-ylmethyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [3-[[ethylcarbamoyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N(CC1=CC(=CC=C1)OS(=O)(=O)C(C)C)CC2=CC=CO2

Isomeric SMILES

CCNC(=O)N(CC1=CC(=CC=C1)OS(=O)(=O)C(C)C)CC2=CC=CO2

InChI

InChI=1S/C18H24N2O5S/c1-4-19-18(21)20(13-17-9-6-10-24-17)12-15-7-5-8-16(11-15)25-26(22,23)14(2)3/h5-11,14H,4,12-13H2,1-3H3,(H,19,21)