[3-[[furan-2-ylmethyl-(4-phenylphenyl)carbonyl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[furan-2-ylmethyl-(4-phenylphenyl)carbonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[2-furylmethyl-(4-phenylbenzoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-furanylmethyl-[oxo-(4-phenylphenyl)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-ylmethyl-(4-phenylbenzoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[2-furfuryl-(4-phenylbenzoyl)amino]methyl]phenyl] ester Formula: C27H25NO5S MolecularWeight: 475.5561

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H25NO5S/c1-2-34(30,31)33-25-11-6-8-21(18-25)19-28(20-26-12-7-17-32-26)27(29)24-15-13-23(14-16-24)22-9-4-3-5-10-22/h3-18H,2,19-20H2,1H3