4-[[3-(1,3-benzodioxol-5-yl)-1-oxidanylidene-2-pyridin-2-yl-4-oxa-8-azaspiro[4.5]dec-2-en-8-yl]sulfonyl]benzenecarbonitrile

Systemtic Name: 4-[[3-(1,3-benzodioxol-5-yl)-1-oxidanylidene-2-pyridin-2-yl-4-oxa-8-azaspiro[4.5]dec-2-en-8-yl]sulfonyl]benzenecarbonitrile Openeye Name: 4-[[3-(1,3-benzodioxol-5-yl)-1-oxo-2-(2-pyridyl)-4-oxa-8-azaspiro[4.5]dec-2-en-8-yl]sulfonyl]benzonitrile CAS Name: 4-[[3-(1,3-benzodioxol-5-yl)-1-oxo-2-(2-pyridinyl)-4-oxa-8-azaspiro[4.5]dec-2-en-8-yl]sulfonyl]benzonitrile IUPAC Name: 4-[[3-(1,3-benzodioxol-5-yl)-1-oxo-2-pyridin-2-yl-4-oxa-8-azaspiro[4.5]dec-2-en-8-yl]sulfonyl]benzonitrile Traditional Name: 4-[[3-(1,3-benzodioxol-5-yl)-1-keto-2-(2-pyridyl)-4-oxa-8-azaspiro[4.5]dec-2-en-8-yl]sulfonyl]benzonitrile Formula: C27H21N3O6S MolecularWeight: 515.53714

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12C(=O)C(=C(O2)C3=CC4=C(C=C3)OCO4)C5=CC=CC=N5)S(=O)(=O)C6=CC=C(C=C6)C#N

Isomeric SMILES

C1CN(CCC12C(=O)C(=C(O2)C3=CC4=C(C=C3)OCO4)C5=CC=CC=N5)S(=O)(=O)C6=CC=C(C=C6)C#N

InChI

InChI=1S/C27H21N3O6S/c28-16-18-4-7-20(8-5-18)37(32,33)30-13-10-27(11-14-30)26(31)24(21-3-1-2-12-29-21)25(36-27)19-6-9-22-23(15-19)35-17-34-22/h1-9,12,15H,10-11,13-14,17H2