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

Systemtic Name: [3-[[furan-2-ylmethyl-(4-hexylphenyl)carbonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[2-furylmethyl-(4-hexylbenzoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-furanylmethyl-[(4-hexylphenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-ylmethyl-(4-hexylbenzoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[2-furfuryl-(4-hexylbenzoyl)amino]methyl]phenyl] ester Formula: C27H33NO5S MolecularWeight: 483.61962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)CC)CC3=CC=CO3

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)CC)CC3=CC=CO3

InChI

InChI=1S/C27H33NO5S/c1-3-5-6-7-10-22-14-16-24(17-15-22)27(29)28(21-26-13-9-18-32-26)20-23-11-8-12-25(19-23)33-34(30,31)4-2/h8-9,11-19H,3-7,10,20-21H2,1-2H3