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

Systemtic Name: 3-[[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-oxo-piperazin-1-yl]methyl]benzonitrile CAS Name: 3-[[4-[(6-chloro-2-naphthalenyl)sulfonyl]-2-oxo-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-keto-piperazino]methyl]benzonitrile Formula: C22H18ClN3O3S MolecularWeight: 439.91462

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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=CC=CC(=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN3O3S/c23-20-6-4-19-12-21(7-5-18(19)11-20)30(28,29)26-9-8-25(22(27)15-26)14-17-3-1-2-16(10-17)13-24/h1-7,10-12H,8-9,14-15H2