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

Systemtic Name: [4-[[furan-2-ylmethyl-(4-pentylphenyl)carbonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[2-furylmethyl-(4-pentylbenzoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[2-furanylmethyl-[oxo-(4-pentylphenyl)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[furan-2-ylmethyl-(4-pentylbenzoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(4-amylbenzoyl)-(2-furfuryl)amino]methyl]phenyl] ester Formula: C25H29NO5S MolecularWeight: 455.56646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO5S/c1-3-4-5-7-20-9-13-22(14-10-20)25(27)26(19-24-8-6-17-30-24)18-21-11-15-23(16-12-21)31-32(2,28)29/h6,8-17H,3-5,7,18-19H2,1-2H3