3-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-oxidanylidene-2-pyridin-2-yl-propanenitrile

Systemtic Name: 3-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-oxidanylidene-2-pyridin-2-yl-propanenitrile Openeye Name: 3-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-oxo-2-(2-pyridyl)propanenitrile CAS Name: 3-[3-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-3-oxo-2-(2-pyridinyl)propanenitrile IUPAC Name: 3-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-oxo-2-pyridin-2-ylpropanenitrile Traditional Name: 3-keto-3-[3-(4-methylpiperazino)sulfonylphenyl]-2-(2-pyridyl)propionitrile Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)C(C#N)C3=CC=CC=N3

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)C(C#N)C3=CC=CC=N3

InChI

InChI=1S/C19H20N4O3S/c1-22-9-11-23(12-10-22)27(25,26)16-6-4-5-15(13-16)19(24)17(14-20)18-7-2-3-8-21-18/h2-8,13,17H,9-12H2,1H3