3-[[1-(phenylsulfonyl)-4-oxa-1,8-diazaspiro[4.5]decan-8-yl]carbonyl]benzenecarbonitrile

Systemtic Name: 3-[[1-(phenylsulfonyl)-4-oxa-1,8-diazaspiro[4.5]decan-8-yl]carbonyl]benzenecarbonitrile Openeye Name: 3-[1-(benzenesulfonyl)-4-oxa-1,8-diazaspiro[4.5]decane-8-carbonyl]benzonitrile CAS Name: 3-[[1-(benzenesulfonyl)-4-oxa-1,8-diazaspiro[4.5]decan-8-yl]-oxomethyl]benzonitrile IUPAC Name: 3-[1-(benzenesulfonyl)-4-oxa-1,8-diazaspiro[4.5]decane-8-carbonyl]benzonitrile Traditional Name: 3-(1-besyl-4-oxa-1,8-diazaspiro[4.5]decane-8-carbonyl)benzonitrile Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12N(CCO2)S(=O)(=O)C3=CC=CC=C3)C(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCC12N(CCO2)S(=O)(=O)C3=CC=CC=C3)C(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H21N3O4S/c22-16-17-5-4-6-18(15-17)20(25)23-11-9-21(10-12-23)24(13-14-28-21)29(26,27)19-7-2-1-3-8-19/h1-8,15H,9-14H2