[4-chloranyl-2-[[furan-2-ylmethyl(2-methylpropanoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-chloranyl-2-[[furan-2-ylmethyl(2-methylpropanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-chloro-2-[[2-furylmethyl(2-methylpropanoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-chloro-2-[[2-furanylmethyl-(2-methyl-1-oxopropyl)amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[furan-2-ylmethyl(2-methylpropanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-chloro-2-[[2-furfuryl(isobutyryl)amino]methyl]phenyl] ester Formula: C17H20ClNO5S MolecularWeight: 385.8624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N(CC1=CC=CO1)CC2=C(C=CC(=C2)Cl)OS(=O)(=O)C

Isomeric SMILES

CC(C)C(=O)N(CC1=CC=CO1)CC2=C(C=CC(=C2)Cl)OS(=O)(=O)C

InChI

InChI=1S/C17H20ClNO5S/c1-12(2)17(20)19(11-15-5-4-8-23-15)10-13-9-14(18)6-7-16(13)24-25(3,21)22/h4-9,12H,10-11H2,1-3H3