(E)-2-(4-bromophenyl)sulfonyl-3-[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]prop-2-enenitrile

Systemtic Name: (E)-2-(4-bromophenyl)sulfonyl-3-[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]prop-2-enenitrile Openeye Name: (E)-2-(4-bromophenyl)sulfonyl-3-[3,5-dimethyl-4-(2-pyridylmethoxy)phenyl]prop-2-enenitrile CAS Name: (E)-2-(4-bromophenyl)sulfonyl-3-[3,5-dimethyl-4-(2-pyridinylmethoxy)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(4-bromophenyl)sulfonyl-3-[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]prop-2-enenitrile Traditional Name: (E)-2-brosyl-3-[3,5-dimethyl-4-(2-pyridylmethoxy)phenyl]acrylonitrile Formula: C23H19BrN2O3S MolecularWeight: 483.37756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC2=CC=CC=N2)C)C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC2=CC=CC=N2)C)/C=C(\C#N)/S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C23H19BrN2O3S/c1-16-11-18(12-17(2)23(16)29-15-20-5-3-4-10-26-20)13-22(14-25)30(27,28)21-8-6-19(24)7-9-21/h3-13H,15H2,1-2H3/b22-13+