4-(2-isocyanatopyrrolidin-1-yl)sulfonylbenzenecarbonitrile

Systemtic Name: 4-(2-isocyanatopyrrolidin-1-yl)sulfonylbenzenecarbonitrile Openeye Name: 4-(2-isocyanatopyrrolidin-1-yl)sulfonylbenzonitrile CAS Name: 4-[(2-isocyanato-1-pyrrolidinyl)sulfonyl]benzonitrile IUPAC Name: 4-(2-isocyanatopyrrolidin-1-yl)sulfonylbenzonitrile Traditional Name: 4-(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=C(C=C2)C#N)N=C=O

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O3S/c13-8-10-3-5-11(6-4-10)19(17,18)15-7-1-2-12(15)14-9-16/h3-6,12H,1-2,7H2