5-[3-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]-4,6-dimethyl-2-oxidanylidene-1H-pyridine-3-carbonitrile

Systemtic Name: 5-[3-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]-4,6-dimethyl-2-oxidanylidene-1H-pyridine-3-carbonitrile Openeye Name: 5-[3-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-3-oxo-propyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile CAS Name: 5-[3-[4-(2-cyanophenyl)sulfonyl-1-piperazinyl]-3-oxopropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile IUPAC Name: 5-[3-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile Traditional Name: 5-[3-[4-(2-cyanophenyl)sulfonylpiperazino]-3-keto-propyl]-2-keto-4,6-dimethyl-1H-pyridine-3-carbonitrile Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C)C#N

InChI

InChI=1S/C22H23N5O4S/c1-15-18(16(2)25-22(29)19(15)14-24)7-8-21(28)26-9-11-27(12-10-26)32(30,31)20-6-4-3-5-17(20)13-23/h3-6H,7-12H2,1-2H3,(H,25,29)