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

Systemtic Name: sodium 2-[4-[chloranyl(phenylsulfonyl)methyl]-3-methoxy-4H-pyridin-1-yl]propanedinitrile Openeye Name: sodium 2-[4-[benzenesulfonyl(chloro)methyl]-3-methoxy-4H-pyridin-1-yl]propanedinitrile CAS Name: sodium 2-[4-[benzenesulfonyl(chloro)methyl]-3-methoxy-4H-pyridin-1-yl]propanedinitrile IUPAC Name: sodium 2-[4-[benzenesulfonyl(chloro)methyl]-3-methoxy-4H-pyridin-1-yl]propanedinitrile Traditional Name: sodium 2-[4-[besyl(chloro)methyl]-3-methoxy-4H-pyridin-1-yl]malononitrile Formula: C16H13ClN3NaO3S MolecularWeight: 385.80049

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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.[Na+]

Isomeric SMILES

COC1=CN(C=CC1C(S(=O)(=O)C2=CC=CC=C2)Cl)[C-](C#N)C#N.[Na+]

InChI

InChI=1S/C16H13ClN3O3S.Na/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;/h2-8,11,14,16H,1H3;/q-1;+1