5-(6-chloranylnaphthalen-2-yl)sulfonyl-3-[6-(oxidanylidenemethylidene)cyclohexa-1,3-dien-1-yl]-4-piperazin-1-yl-pyridine-2-carbonitrile

Systemtic Name: 5-(6-chloranylnaphthalen-2-yl)sulfonyl-3-[6-(oxidanylidenemethylidene)cyclohexa-1,3-dien-1-yl]-4-piperazin-1-yl-pyridine-2-carbonitrile Openeye Name: 5-[(6-chloro-2-naphthyl)sulfonyl]-3-[6-(oxomethylene)cyclohexa-1,3-dien-1-yl]-4-piperazin-1-yl-pyridine-2-carbonitrile CAS Name: 5-[(6-chloro-2-naphthalenyl)sulfonyl]-3-[6-(oxomethylidene)-1-cyclohexa-1,3-dienyl]-4-(1-piperazinyl)-2-pyridinecarbonitrile IUPAC Name: 5-(6-chloronaphthalen-2-yl)sulfonyl-3-[6-(oxomethylidene)cyclohexa-1,3-dien-1-yl]-4-piperazin-1-ylpyridine-2-carbonitrile Traditional Name: 5-[(6-chloro-2-naphthyl)sulfonyl]-3-[6-(ketomethylene)cyclohexa-1,3-dien-1-yl]-4-piperazino-picolinonitrile Formula: C27H21ClN4O3S MolecularWeight: 516.99864

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C(=NC=C2S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C#N)C5=CC=CCC5=C=O

Isomeric SMILES

C1CN(CCN1)C2=C(C(=NC=C2S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C#N)C5=CC=CCC5=C=O

InChI

InChI=1S/C27H21ClN4O3S/c28-21-7-5-19-14-22(8-6-18(19)13-21)36(34,35)25-16-31-24(15-29)26(23-4-2-1-3-20(23)17-33)27(25)32-11-9-30-10-12-32/h1-2,4-8,13-14,16,30H,3,9-12H2