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

Systemtic Name: 2-(2-isocyanatopiperidin-1-yl)sulfonylbenzenecarbonitrile Openeye Name: 2-[(2-isocyanato-1-piperidyl)sulfonyl]benzonitrile CAS Name: 2-[(2-isocyanato-1-piperidinyl)sulfonyl]benzonitrile IUPAC Name: 2-(2-isocyanatopiperidin-1-yl)sulfonylbenzonitrile Traditional Name: 2-(2-isocyanatopiperidino)sulfonylbenzonitrile Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)N=C=O)S(=O)(=O)C2=CC=CC=C2C#N

Isomeric SMILES

C1CCN(C(C1)N=C=O)S(=O)(=O)C2=CC=CC=C2C#N

InChI

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