6-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile CAS Name: 6-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-(2,4-dimethylphenyl)sulfonylpiperazino]nicotinonitrile Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=C(C=C3)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=C(C=C3)C#N)C

InChI

InChI=1S/C18H20N4O2S/c1-14-3-5-17(15(2)11-14)25(23,24)22-9-7-21(8-10-22)18-6-4-16(12-19)13-20-18/h3-6,11,13H,7-10H2,1-2H3