4-ethyl-2-(4-methylsulfonylphenoxy)cyclohexane-1-carbonitrile

Systemtic Name: 4-ethyl-2-(4-methylsulfonylphenoxy)cyclohexane-1-carbonitrile Openeye Name: 4-ethyl-2-(4-methylsulfonylphenoxy)cyclohexanecarbonitrile CAS Name: 4-ethyl-2-(4-methylsulfonylphenoxy)-1-cyclohexanecarbonitrile IUPAC Name: 4-ethyl-2-(4-methylsulfonylphenoxy)cyclohexane-1-carbonitrile Traditional Name: 4-ethyl-2-(4-mesylphenoxy)cyclohexanecarbonitrile Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(C(C1)OC2=CC=C(C=C2)S(=O)(=O)C)C#N

Isomeric SMILES

CCC1CCC(C(C1)OC2=CC=C(C=C2)S(=O)(=O)C)C#N

InChI

InChI=1S/C16H21NO3S/c1-3-12-4-5-13(11-17)16(10-12)20-14-6-8-15(9-7-14)21(2,18)19/h6-9,12-13,16H,3-5,10H2,1-2H3