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

Systemtic Name: sodium 2-[3-butyl-4-[chloranyl(phenylsulfonyl)methyl]-4H-pyridin-1-yl]propanedinitrile Openeye Name: sodium 2-[4-[benzenesulfonyl(chloro)methyl]-3-butyl-4H-pyridin-1-yl]propanedinitrile CAS Name: sodium 2-[4-[benzenesulfonyl(chloro)methyl]-3-butyl-4H-pyridin-1-yl]propanedinitrile IUPAC Name: sodium 2-[4-[benzenesulfonyl(chloro)methyl]-3-butyl-4H-pyridin-1-yl]propanedinitrile Traditional Name: sodium 2-[4-[besyl(chloro)methyl]-3-butyl-4H-pyridin-1-yl]malononitrile Formula: C19H19ClN3NaO2S MolecularWeight: 411.88083

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN(C=CC1C(S(=O)(=O)C2=CC=CC=C2)Cl)[C-](C#N)C#N.[Na+]

Isomeric SMILES

CCCCC1=CN(C=CC1C(S(=O)(=O)C2=CC=CC=C2)Cl)[C-](C#N)C#N.[Na+]

InChI

InChI=1S/C19H19ClN3O2S.Na/c1-2-3-7-15-14-23(16(12-21)13-22)11-10-18(15)19(20)26(24,25)17-8-5-4-6-9-17;/h4-6,8-11,14,18-19H,2-3,7H2,1H3;/q-1;+1