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

Systemtic Name: [3-[[furan-2-ylmethyl-(4-hexylphenyl)carbonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[2-furylmethyl-(4-hexylbenzoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[2-furanylmethyl-[(4-hexylphenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-ylmethyl-(4-hexylbenzoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[2-furfuryl-(4-hexylbenzoyl)amino]methyl]phenyl] ester Formula: C26H31NO5S MolecularWeight: 469.59304

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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)C)CC3=CC=CO3

Isomeric SMILES

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

InChI

InChI=1S/C26H31NO5S/c1-3-4-5-6-9-21-13-15-23(16-14-21)26(28)27(20-25-12-8-17-31-25)19-22-10-7-11-24(18-22)32-33(2,29)30/h7-8,10-18H,3-6,9,19-20H2,1-2H3