5-tert-butyl-3-chloranyl-2-ethyl-benzenesulfonamide; 3,3-dimethylbutan-2-ylbenzene

Systemtic Name: 5-tert-butyl-3-chloranyl-2-ethyl-benzenesulfonamide; 3,3-dimethylbutan-2-ylbenzene Openeye Name: 5-tert-butyl-3-chloro-2-ethyl-benzenesulfonamide; 1,2,2-trimethylpropylbenzene CAS Name: 5-tert-butyl-3-chloro-2-ethylbenzenesulfonamide; 3,3-dimethylbutan-2-ylbenzene IUPAC Name: 5-tert-butyl-3-chloro-2-ethylbenzenesulfonamide; 3,3-dimethylbutan-2-ylbenzene Traditional Name: 5-tert-butyl-3-chloro-2-ethyl-benzenesulfonamide; 1,2,2-trimethylpropylbenzene Formula: C24H36ClNO2S MolecularWeight: 438.06614

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1Cl)C(C)(C)C)S(=O)(=O)N.CC(C1=CC=CC=C1)C(C)(C)C

Isomeric SMILES

CCC1=C(C=C(C=C1Cl)C(C)(C)C)S(=O)(=O)N.CC(C1=CC=CC=C1)C(C)(C)C

InChI

InChI=1S/C12H18ClNO2S.C12H18/c1-5-9-10(13)6-8(12(2,3)4)7-11(9)17(14,15)16;1-10(12(2,3)4)11-8-6-5-7-9-11/h6-7H,5H2,1-4H3,(H2,14,15,16);5-10H,1-4H3