6-[5-[2-methyl-4-(phenylcarbonyl)piperazin-1-yl]sulfonylthiophen-2-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[5-[2-methyl-4-(phenylcarbonyl)piperazin-1-yl]sulfonylthiophen-2-yl]pyridine-3-carbonitrile Openeye Name: 6-[5-(4-benzoyl-2-methyl-piperazin-1-yl)sulfonyl-2-thienyl]pyridine-3-carbonitrile CAS Name: 6-[5-[(4-benzoyl-2-methyl-1-piperazinyl)sulfonyl]-2-thiophenyl]-3-pyridinecarbonitrile IUPAC Name: 6-[5-(4-benzoyl-2-methylpiperazin-1-yl)sulfonylthiophen-2-yl]pyridine-3-carbonitrile Traditional Name: 6-[5-(4-benzoyl-2-methyl-piperazino)sulfonyl-2-thienyl]nicotinonitrile Formula: C22H20N4O3S2 MolecularWeight: 452.5492

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=C(S2)C3=NC=C(C=C3)C#N)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=CC=C(S2)C3=NC=C(C=C3)C#N)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4O3S2/c1-16-15-25(22(27)18-5-3-2-4-6-18)11-12-26(16)31(28,29)21-10-9-20(30-21)19-8-7-17(13-23)14-24-19/h2-10,14,16H,11-12,15H2,1H3