4-[[9-(phenylsulfonyl)-3,9-diazaspiro[5.5]undecan-3-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[9-(phenylsulfonyl)-3,9-diazaspiro[5.5]undecan-3-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[9-(benzenesulfonyl)-3,9-diazaspiro[5.5]undecan-3-yl]methyl]benzonitrile CAS Name: 4-[[9-(benzenesulfonyl)-3,9-diazaspiro[5.5]undecan-3-yl]methyl]benzonitrile IUPAC Name: 4-[[9-(benzenesulfonyl)-3,9-diazaspiro[5.5]undecan-3-yl]methyl]benzonitrile Traditional Name: 4-[(9-besyl-3,9-diazaspiro[5.5]undecan-3-yl)methyl]benzonitrile Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12CCN(CC2)S(=O)(=O)C3=CC=CC=C3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCC12CCN(CC2)S(=O)(=O)C3=CC=CC=C3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H27N3O2S/c24-18-20-6-8-21(9-7-20)19-25-14-10-23(11-15-25)12-16-26(17-13-23)29(27,28)22-4-2-1-3-5-22/h1-9H,10-17,19H2