4-[(4-naphthalen-2-ylsulfonyl-2-oxidanylidene-piperazin-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(4-naphthalen-2-ylsulfonyl-2-oxidanylidene-piperazin-1-yl)methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-naphthylsulfonyl)-2-oxo-piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(2-naphthalenylsulfonyl)-2-oxo-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[(4-naphthalen-2-ylsulfonyl-2-oxopiperazin-1-yl)methyl]benzonitrile Traditional Name: 4-[[2-keto-4-(2-naphthylsulfonyl)piperazino]methyl]benzonitrile Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(C(=O)CN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H19N3O3S/c23-14-17-5-7-18(8-6-17)15-24-11-12-25(16-22(24)26)29(27,28)21-10-9-19-3-1-2-4-20(19)13-21/h1-10,13H,11-12,15-16H2