[3-[[furan-2-ylmethyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[furan-2-ylmethyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[2-furylmethyl(isopropylcarbamoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-furanylmethyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-ylmethyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[2-furfuryl(isopropylcarbamoyl)amino]methyl]phenyl] ester Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)NC(C)C

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)NC(C)C

InChI

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