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

Systemtic Name: 4-[(9-methylsulfonyl-4,9-diazaspiro[5.5]undecan-4-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(9-methylsulfonyl-4,9-diazaspiro[5.5]undecan-4-yl)methyl]benzonitrile CAS Name: 4-[(9-methylsulfonyl-4,9-diazaspiro[5.5]undecan-4-yl)methyl]benzonitrile IUPAC Name: 4-[(9-methylsulfonyl-4,9-diazaspiro[5.5]undecan-4-yl)methyl]benzonitrile Traditional Name: 4-[(9-mesyl-4,9-diazaspiro[5.5]undecan-4-yl)methyl]benzonitrile Formula: C18H25N3O2S MolecularWeight: 347.475

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC2(CCCN(C2)CC3=CC=C(C=C3)C#N)CC1

Isomeric SMILES

CS(=O)(=O)N1CCC2(CCCN(C2)CC3=CC=C(C=C3)C#N)CC1

InChI

InChI=1S/C18H25N3O2S/c1-24(22,23)21-11-8-18(9-12-21)7-2-10-20(15-18)14-17-5-3-16(13-19)4-6-17/h3-6H,2,7-12,14-15H2,1H3