[4-chloranyl-2-[[furan-2-ylcarbonyl(2-methylpropyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [4-chloranyl-2-[[furan-2-ylcarbonyl(2-methylpropyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-chloro-2-[[furan-2-carbonyl(isobutyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[[2-furanyl(oxo)methyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[furan-2-carbonyl(2-methylpropyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[2-furoyl(isobutyl)amino]methyl]phenyl] ester Formula: C24H25ClN2O6S MolecularWeight: 504.9831

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C(=O)C3=CC=CO3

Isomeric SMILES

CC(C)CN(CC1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C(=O)C3=CC=CO3

InChI

InChI=1S/C24H25ClN2O6S/c1-16(2)14-27(24(29)23-5-4-12-32-23)15-18-13-19(25)6-11-22(18)33-34(30,31)21-9-7-20(8-10-21)26-17(3)28/h4-13,16H,14-15H2,1-3H3,(H,26,28)