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

Systemtic Name: 4-[[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]cyclohexane-1-carbonitrile Openeye Name: 4-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-oxo-piperazin-1-yl]methyl]cyclohexanecarbonitrile CAS Name: 4-[[4-[(6-chloro-2-naphthalenyl)sulfonyl]-2-oxo-1-piperazinyl]methyl]-1-cyclohexanecarbonitrile IUPAC Name: 4-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]methyl]cyclohexane-1-carbonitrile Traditional Name: 4-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-keto-piperazino]methyl]cyclohexanecarbonitrile Formula: C22H24ClN3O3S MolecularWeight: 445.96226

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C#N

Isomeric SMILES

C1CC(CCC1CN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C#N

InChI

InChI=1S/C22H24ClN3O3S/c23-20-7-5-19-12-21(8-6-18(19)11-20)30(28,29)26-10-9-25(22(27)15-26)14-17-3-1-16(13-24)2-4-17/h5-8,11-12,16-17H,1-4,9-10,14-15H2