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

Systemtic Name: [3-[[furan-2-ylmethyl-(4-methylphenyl)carbonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[2-furylmethyl-(4-methylbenzoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[2-furanylmethyl-[(4-methylphenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-ylmethyl-(4-methylbenzoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[2-furfuryl(p-toluoyl)amino]methyl]phenyl] ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C)CC3=CC=CO3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C)CC3=CC=CO3

InChI

InChI=1S/C21H21NO5S/c1-16-8-10-18(11-9-16)21(23)22(15-20-7-4-12-26-20)14-17-5-3-6-19(13-17)27-28(2,24)25/h3-13H,14-15H2,1-2H3