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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C)CC3=CC=CO3

Isomeric SMILES

CC1=CC=CC=C1C(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C)CC3=CC=CO3

InChI

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