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

Systemtic Name: [4-[[furan-2-ylmethyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[2-furylmethyl(isopropylcarbamoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[2-furanylmethyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[furan-2-ylmethyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[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=C(C=C1)OS(=O)(=O)C)CC2=CC=CO2

Isomeric SMILES

CC(C)NC(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C)CC2=CC=CO2

InChI

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