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

Systemtic Name: 3-(2-isocyanatopyrrolidin-1-yl)sulfonylbenzenecarbonitrile Openeye Name: 3-(2-isocyanatopyrrolidin-1-yl)sulfonylbenzonitrile CAS Name: 3-[(2-isocyanato-1-pyrrolidinyl)sulfonyl]benzonitrile IUPAC Name: 3-(2-isocyanatopyrrolidin-1-yl)sulfonylbenzonitrile Traditional Name: 3-(2-isocyanatopyrrolidino)sulfonylbenzonitrile Formula: C12H11N3O3S MolecularWeight: 277.29904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O3S/c13-8-10-3-1-4-11(7-10)19(17,18)15-6-2-5-12(15)14-9-16/h1,3-4,7,12H,2,5-6H2