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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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