4-[[4-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxo-ethyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(4-benzylsulfonylpiperazino)-2-keto-ethyl]piperazino]methyl]benzonitrile Formula: C25H31N5O3S MolecularWeight: 481.61034

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)CC(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)CC(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H31N5O3S/c26-18-22-6-8-23(9-7-22)19-27-10-12-28(13-11-27)20-25(31)29-14-16-30(17-15-29)34(32,33)21-24-4-2-1-3-5-24/h1-9H,10-17,19-21H2