2-[4-[chloranyl(phenylsulfonyl)methyl]-3-methoxy-4H-pyridin-1-yl]propanedinitrile

Systemtic Name: 2-[4-[chloranyl(phenylsulfonyl)methyl]-3-methoxy-4H-pyridin-1-yl]propanedinitrile Openeye Name: 2-[4-[benzenesulfonyl(chloro)methyl]-3-methoxy-4H-pyridin-1-yl]propanedinitrile CAS Name: 2-[4-[benzenesulfonyl(chloro)methyl]-3-methoxy-4H-pyridin-1-yl]propanedinitrile IUPAC Name: 2-[4-[benzenesulfonyl(chloro)methyl]-3-methoxy-4H-pyridin-1-yl]propanedinitrile Traditional Name: 2-[4-[besyl(chloro)methyl]-3-methoxy-4H-pyridin-1-yl]malononitrile Formula: C16H14ClN3O3S MolecularWeight: 363.81866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(C=CC1C(S(=O)(=O)C2=CC=CC=C2)Cl)C(C#N)C#N

Isomeric SMILES

COC1=CN(C=CC1C(S(=O)(=O)C2=CC=CC=C2)Cl)C(C#N)C#N

InChI

InChI=1S/C16H14ClN3O3S/c1-23-15-11-20(12(9-18)10-19)8-7-14(15)16(17)24(21,22)13-5-3-2-4-6-13/h2-8,11-12,14,16H,1H3