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

Systemtic Name: [4-chloranyl-2-[[cyclopropyl(furan-2-ylcarbonyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-chloro-2-[[cyclopropyl(furan-2-carbonyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[cyclopropyl-[2-furanyl(oxo)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[cyclopropyl(furan-2-carbonyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[cyclopropyl(2-furoyl)amino]methyl]phenyl] ester Formula: C23H21ClN2O6S MolecularWeight: 488.94064

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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(C3CC3)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(C3CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C23H21ClN2O6S/c1-15(27)25-18-5-9-20(10-6-18)33(29,30)32-21-11-4-17(24)13-16(21)14-26(19-7-8-19)23(28)22-3-2-12-31-22/h2-6,9-13,19H,7-8,14H2,1H3,(H,25,27)