[4-chloranyl-2-[[furan-2-ylcarbonyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-chloranyl-2-[[furan-2-ylcarbonyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-chloro-2-[[furan-2-carbonyl(isopropyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-chloro-2-[[[2-furanyl(oxo)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[furan-2-carbonyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-chloro-2-[[2-furoyl(isopropyl)amino]methyl]phenyl] ester Formula: C17H20ClNO5S MolecularWeight: 385.8624

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=C(C=C1)Cl)CN(C(C)C)C(=O)C2=CC=CO2

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=C(C=C1)Cl)CN(C(C)C)C(=O)C2=CC=CO2

InChI

InChI=1S/C17H20ClNO5S/c1-4-25(21,22)24-15-8-7-14(18)10-13(15)11-19(12(2)3)17(20)16-6-5-9-23-16/h5-10,12H,4,11H2,1-3H3