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

Systemtic Name: [3-[[furan-2-ylmethyl-(4-pentylphenyl)carbonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[2-furylmethyl-(4-pentylbenzoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-furanylmethyl-[oxo-(4-pentylphenyl)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-ylmethyl-(4-pentylbenzoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(4-amylbenzoyl)-(2-furfuryl)amino]methyl]phenyl] ester Formula: C26H31NO5S MolecularWeight: 469.59304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)CC)CC3=CC=CO3

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)CC)CC3=CC=CO3

InChI

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