cyclohexane; 2-(2-dimethylaminoethyl)-3-methyl-2-phenyl-butanenitrile; sulfamic acid

Systemtic Name: cyclohexane; 2-(2-dimethylaminoethyl)-3-methyl-2-phenyl-butanenitrile; sulfamic acid Openeye Name: cyclohexane; 2-(2-dimethylaminoethyl)-3-methyl-2-phenyl-butanenitrile; sulfamic acid CAS Name: cyclohexane; 2-(2-dimethylaminoethyl)-3-methyl-2-phenylbutanenitrile; sulfamic acid IUPAC Name: cyclohexane; 2-(2-dimethylaminoethyl)-3-methyl-2-phenylbutanenitrile; sulfamic acid Traditional Name: cyclohexane; 2-(2-dimethylaminoethyl)-3-methyl-2-phenyl-butyronitrile; sulfamic acid Formula: C21H37N3O3S MolecularWeight: 411.60178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCN(C)C)(C#N)C1=CC=CC=C1.C1CCCCC1.NS(=O)(=O)O

Isomeric SMILES

CC(C)C(CCN(C)C)(C#N)C1=CC=CC=C1.C1CCCCC1.NS(=O)(=O)O

InChI

InChI=1S/C15H22N2.C6H12.H3NO3S/c1-13(2)15(12-16,10-11-17(3)4)14-8-6-5-7-9-14;1-2-4-6-5-3-1;1-5(2,3)4/h5-9,13H,10-11H2,1-4H3;1-6H2;(H3,1,2,3,4)