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

Systemtic Name: [4-chloranyl-2-[[2-dimethylaminoethyl(furan-2-ylcarbonyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-chloro-2-[[2-dimethylaminoethyl(furan-2-carbonyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-chloro-2-[[2-dimethylaminoethyl-[2-furanyl(oxo)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[2-dimethylaminoethyl(furan-2-carbonyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-chloro-2-[[2-dimethylaminoethyl(2-furoyl)amino]methyl]phenyl] ester Formula: C18H23ClN2O5S MolecularWeight: 414.90362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23ClN2O5S/c1-4-27(23,24)26-16-8-7-15(19)12-14(16)13-21(10-9-20(2)3)18(22)17-6-5-11-25-17/h5-8,11-12H,4,9-10,13H2,1-3H3