[3-[[furan-2-ylmethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[furan-2-ylmethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[2-furylmethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[2-furanylmethyl-[(4-methoxyanilino)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-ylmethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[2-furfuryl-[(4-methoxyphenyl)carbamoyl]amino]methyl]phenyl] ester Formula: C21H22N2O6S MolecularWeight: 430.47418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C)CC3=CC=CO3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C)CC3=CC=CO3

InChI

InChI=1S/C21H22N2O6S/c1-27-18-10-8-17(9-11-18)22-21(24)23(15-20-7-4-12-28-20)14-16-5-3-6-19(13-16)29-30(2,25)26/h3-13H,14-15H2,1-2H3,(H,22,24)