6-[[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]pyridine-3-carbonitrile

Systemtic Name: 6-[[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]pyridine-3-carbonitrile Openeye Name: 6-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-oxo-piperazin-1-yl]methyl]pyridine-3-carbonitrile CAS Name: 6-[[4-[(6-chloro-2-naphthalenyl)sulfonyl]-2-oxo-1-piperazinyl]methyl]-3-pyridinecarbonitrile IUPAC Name: 6-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]methyl]pyridine-3-carbonitrile Traditional Name: 6-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-keto-piperazino]methyl]nicotinonitrile Formula: C21H17ClN4O3S MolecularWeight: 440.90268

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)CC4=NC=C(C=C4)C#N

Isomeric SMILES

C1CN(C(=O)CN1S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)CC4=NC=C(C=C4)C#N

InChI

InChI=1S/C21H17ClN4O3S/c22-18-4-2-17-10-20(6-3-16(17)9-18)30(28,29)26-8-7-25(21(27)14-26)13-19-5-1-15(11-23)12-24-19/h1-6,9-10,12H,7-8,13-14H2