2-(3-isocyanatopiperidin-1-yl)sulfonylbenzenecarbonitrile

Systemtic Name: 2-(3-isocyanatopiperidin-1-yl)sulfonylbenzenecarbonitrile Openeye Name: 2-[(3-isocyanato-1-piperidyl)sulfonyl]benzonitrile CAS Name: 2-[(3-isocyanato-1-piperidinyl)sulfonyl]benzonitrile IUPAC Name: 2-(3-isocyanatopiperidin-1-yl)sulfonylbenzonitrile Traditional Name: 2-(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=C2C#N)N=C=O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2C#N)N=C=O

InChI

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