5-butan-2-yl-4-methylsulfonyl-2-propan-2-yl-benzenecarbonitrile

Systemtic Name: 5-butan-2-yl-4-methylsulfonyl-2-propan-2-yl-benzenecarbonitrile Openeye Name: 2-isopropyl-4-methylsulfonyl-5-sec-butyl-benzonitrile CAS Name: 5-butan-2-yl-4-methylsulfonyl-2-propan-2-ylbenzonitrile IUPAC Name: 5-butan-2-yl-4-methylsulfonyl-2-propan-2-ylbenzonitrile Traditional Name: 2-isopropyl-4-mesyl-5-sec-butyl-benzonitrile Formula: C15H21NO2S MolecularWeight: 279.39774

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C(C=C(C(=C1)C#N)C(C)C)S(=O)(=O)C

Isomeric SMILES

CCC(C)C1=C(C=C(C(=C1)C#N)C(C)C)S(=O)(=O)C

InChI

InChI=1S/C15H21NO2S/c1-6-11(4)14-7-12(9-16)13(10(2)3)8-15(14)19(5,17)18/h7-8,10-11H,6H2,1-5H3