4-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoylamino]benzenesulfonyl chloride

Systemtic Name: 4-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoylamino]benzenesulfonyl chloride Openeye Name: 4-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoylamino]benzenesulfonyl chloride CAS Name: 4-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-oxopropyl]amino]benzenesulfonyl chloride IUPAC Name: 4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]benzenesulfonyl chloride Traditional Name: 4-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoylamino]benzenesulfonyl chloride Formula: C23H30ClNO4S MolecularWeight: 452.0066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)Cl

InChI

InChI=1S/C23H30ClNO4S/c1-22(2,3)18-13-15(14-19(21(18)27)23(4,5)6)7-12-20(26)25-16-8-10-17(11-9-16)30(24,28)29/h8-11,13-14,27H,7,12H2,1-6H3,(H,25,26)