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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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