[3-[[furan-2-ylmethyl-(2-phenylcyclopropyl)carbonyl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[furan-2-ylmethyl-(2-phenylcyclopropyl)carbonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[2-furylmethyl-(2-phenylcyclopropanecarbonyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-furanylmethyl-[oxo-(2-phenylcyclopropyl)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-ylmethyl-(2-phenylcyclopropanecarbonyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[2-furfuryl-(2-phenylcyclopropanecarbonyl)amino]methyl]phenyl] ester Formula: C24H25NO5S MolecularWeight: 439.524

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)C3CC3C4=CC=CC=C4

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)C3CC3C4=CC=CC=C4

InChI

InChI=1S/C24H25NO5S/c1-2-31(27,28)30-20-11-6-8-18(14-20)16-25(17-21-12-7-13-29-21)24(26)23-15-22(23)19-9-4-3-5-10-19/h3-14,22-23H,2,15-17H2,1H3