3-(4-isocyanatopiperidin-1-yl)sulfonylbenzenecarbonitrile

Systemtic Name: 3-(4-isocyanatopiperidin-1-yl)sulfonylbenzenecarbonitrile Openeye Name: 3-[(4-isocyanato-1-piperidyl)sulfonyl]benzonitrile CAS Name: 3-[(4-isocyanato-1-piperidinyl)sulfonyl]benzonitrile IUPAC Name: 3-(4-isocyanatopiperidin-1-yl)sulfonylbenzonitrile Traditional Name: 3-(4-isocyanatopiperidino)sulfonylbenzonitrile Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N=C=O)S(=O)(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

C1CN(CCC1N=C=O)S(=O)(=O)C2=CC=CC(=C2)C#N

InChI

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