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

Systemtic Name: [4-chloranyl-2-[[furan-2-ylcarbonyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-chloro-2-[[furan-2-carbonyl(2-furylmethyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[2-furanylmethyl-[2-furanyl(oxo)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[furan-2-carbonyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[2-furfuryl(2-furoyl)amino]methyl]phenyl] ester Formula: C25H21ClN2O7S MolecularWeight: 528.96144

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Cl)CN(CC3=CC=CO3)C(=O)C4=CC=CO4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Cl)CN(CC3=CC=CO3)C(=O)C4=CC=CO4

InChI

InChI=1S/C25H21ClN2O7S/c1-17(29)27-20-7-9-22(10-8-20)36(31,32)35-23-11-6-19(26)14-18(23)15-28(16-21-4-2-12-33-21)25(30)24-5-3-13-34-24/h2-14H,15-16H2,1H3,(H,27,29)