[2-[[furan-2-ylmethyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [2-[[furan-2-ylmethyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [2-[[2-furylmethyl(isopropylcarbamoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-[[2-furanylmethyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]phenyl] ester IUPAC Name: [2-[[furan-2-ylmethyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-[[2-furfuryl(isopropylcarbamoyl)amino]methyl]phenyl] ester Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N(CC1=CC=CC=C1OS(=O)(=O)C)CC2=CC=CO2

Isomeric SMILES

CC(C)NC(=O)N(CC1=CC=CC=C1OS(=O)(=O)C)CC2=CC=CO2

InChI

InChI=1S/C17H22N2O5S/c1-13(2)18-17(20)19(12-15-8-6-10-23-15)11-14-7-4-5-9-16(14)24-25(3,21)22/h4-10,13H,11-12H2,1-3H3,(H,18,20)