2-(4-bromophenyl)sulfonyl-3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]prop-2-enenitrile

Systemtic Name: 2-(4-bromophenyl)sulfonyl-3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]prop-2-enenitrile Openeye Name: 2-(4-bromophenyl)sulfonyl-3-[(2R,6R)-2,6-dimethyl-1-piperidyl]prop-2-enenitrile CAS Name: 2-(4-bromophenyl)sulfonyl-3-[(2R,6R)-2,6-dimethyl-1-piperidinyl]-2-propenenitrile IUPAC Name: 2-(4-bromophenyl)sulfonyl-3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]prop-2-enenitrile Traditional Name: 2-brosyl-3-[(2R,6R)-2,6-dimethylpiperidino]acrylonitrile Formula: C16H19BrN2O2S MolecularWeight: 383.30326

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)Br)C

Isomeric SMILES

C[C@@H]1CCC[C@H](N1C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)Br)C

InChI

InChI=1S/C16H19BrN2O2S/c1-12-4-3-5-13(2)19(12)11-16(10-18)22(20,21)15-8-6-14(17)7-9-15/h6-9,11-13H,3-5H2,1-2H3/t12-,13-/m1/s1