[3-chloranyl-5-[(E)-2-phenylethenyl]sulfonyloxy-phenyl] 4-(2-methylpropanoylamino)benzoate

Systemtic Name: [3-chloranyl-5-[(E)-2-phenylethenyl]sulfonyloxy-phenyl] 4-(2-methylpropanoylamino)benzoate Openeye Name: [3-chloro-5-[(E)-styryl]sulfonyloxy-phenyl] 4-(2-methylpropanoylamino)benzoate CAS Name: 4-[(2-methyl-1-oxopropyl)amino]benzoic acid [3-chloro-5-[(E)-2-phenylethenyl]sulfonyloxyphenyl] ester IUPAC Name: [3-chloro-5-[(E)-2-phenylethenyl]sulfonyloxyphenyl] 4-(2-methylpropanoylamino)benzoate Traditional Name: 4-(isobutyrylamino)benzoic acid [3-chloro-5-[(E)-styryl]sulfonyloxy-phenyl] ester Formula: C25H22ClNO6S MolecularWeight: 499.96328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)OC2=CC(=CC(=C2)Cl)OS(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)OC2=CC(=CC(=C2)Cl)OS(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C25H22ClNO6S/c1-17(2)24(28)27-21-10-8-19(9-11-21)25(29)32-22-14-20(26)15-23(16-22)33-34(30,31)13-12-18-6-4-3-5-7-18/h3-17H,1-2H3,(H,27,28)/b13-12+