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

Systemtic Name: 3-(2-isocyanatopiperidin-1-yl)sulfonylbenzenecarbonitrile Openeye Name: 3-[(2-isocyanato-1-piperidyl)sulfonyl]benzonitrile CAS Name: 3-[(2-isocyanato-1-piperidinyl)sulfonyl]benzonitrile IUPAC Name: 3-(2-isocyanatopiperidin-1-yl)sulfonylbenzonitrile Traditional Name: 3-(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(=C2)C#N

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O3S/c14-9-11-4-3-5-12(8-11)20(18,19)16-7-2-1-6-13(16)15-10-17/h3-5,8,13H,1-2,6-7H2