3-[(1-oxidanylidene-4-phenyl-2,4,8-triazaspiro[4.5]decan-8-yl)sulfonyl]benzenecarbonitrile

Systemtic Name: 3-[(1-oxidanylidene-4-phenyl-2,4,8-triazaspiro[4.5]decan-8-yl)sulfonyl]benzenecarbonitrile Openeye Name: 3-[(1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decan-8-yl)sulfonyl]benzonitrile CAS Name: 3-[(1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decan-8-yl)sulfonyl]benzonitrile IUPAC Name: 3-[(1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decan-8-yl)sulfonyl]benzonitrile Traditional Name: 3-[(1-keto-4-phenyl-2,4,8-triazaspiro[4.5]decan-8-yl)sulfonyl]benzonitrile Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)S(=O)(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)S(=O)(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C20H20N4O3S/c21-14-16-5-4-8-18(13-16)28(26,27)23-11-9-20(10-12-23)19(25)22-15-24(20)17-6-2-1-3-7-17/h1-8,13H,9-12,15H2,(H,22,25)