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

Systemtic Name: [4-[[(4-butylphenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(4-butylbenzoyl)-(2-furylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(4-butylphenyl)-oxomethyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-butylbenzoyl)-(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(4-butylbenzoyl)-(2-furfuryl)amino]methyl]phenyl] ester Formula: C24H27NO5S MolecularWeight: 441.53988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C)CC3=CC=CO3

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C)CC3=CC=CO3

InChI

InChI=1S/C24H27NO5S/c1-3-4-6-19-8-12-21(13-9-19)24(26)25(18-23-7-5-16-29-23)17-20-10-14-22(15-11-20)30-31(2,27)28/h5,7-16H,3-4,6,17-18H2,1-2H3