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

Systemtic Name: [4-chloranyl-2-[[furan-2-ylcarbonyl(propan-2-yl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-chloro-2-[[furan-2-carbonyl(isopropyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic 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] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[2-furoyl(isopropyl)amino]methyl]phenyl] ester Formula: C23H23ClN2O6S MolecularWeight: 490.95652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(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)N(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/C23H23ClN2O6S/c1-15(2)26(23(28)22-5-4-12-31-22)14-17-13-18(24)6-11-21(17)32-33(29,30)20-9-7-19(8-10-20)25-16(3)27/h4-13,15H,14H2,1-3H3,(H,25,27)