3-(3-isocyanatopiperidin-1-yl)sulfonylbenzenecarbonitrile

Systemtic Name: 3-(3-isocyanatopiperidin-1-yl)sulfonylbenzenecarbonitrile Openeye Name: 3-[(3-isocyanato-1-piperidyl)sulfonyl]benzonitrile CAS Name: 3-[(3-isocyanato-1-piperidinyl)sulfonyl]benzonitrile IUPAC Name: 3-(3-isocyanatopiperidin-1-yl)sulfonylbenzonitrile Traditional Name: 3-(3-isocyanatopiperidino)sulfonylbenzonitrile Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C#N)N=C=O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C#N)N=C=O

InChI

InChI=1S/C13H13N3O3S/c14-8-11-3-1-5-13(7-11)20(18,19)16-6-2-4-12(9-16)15-10-17/h1,3,5,7,12H,2,4,6,9H2