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

Systemtic Name: 4-[[1-(phenylsulfonyl)-4-oxa-1,8-diazaspiro[4.5]decan-8-yl]carbonyl]benzenecarbonitrile Openeye Name: 4-[1-(benzenesulfonyl)-4-oxa-1,8-diazaspiro[4.5]decane-8-carbonyl]benzonitrile CAS Name: 4-[[1-(benzenesulfonyl)-4-oxa-1,8-diazaspiro[4.5]decan-8-yl]-oxomethyl]benzonitrile IUPAC Name: 4-[1-(benzenesulfonyl)-4-oxa-1,8-diazaspiro[4.5]decane-8-carbonyl]benzonitrile Traditional Name: 4-(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=C(C=C4)C#N

Isomeric SMILES

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

InChI

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