3-isocyanato-1-(3-nitrophenyl)sulfonyl-piperidine

Systemtic Name: 3-isocyanato-1-(3-nitrophenyl)sulfonyl-piperidine Openeye Name: 3-isocyanato-1-(3-nitrophenyl)sulfonyl-piperidine CAS Name: 3-isocyanato-1-(3-nitrophenyl)sulfonylpiperidine IUPAC Name: 3-isocyanato-1-(3-nitrophenyl)sulfonylpiperidine Traditional Name: 3-isocyanato-1-(3-nitrophenyl)sulfonyl-piperidine Formula: C12H13N3O5S MolecularWeight: 311.31372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])N=C=O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])N=C=O

InChI

InChI=1S/C12H13N3O5S/c16-9-13-10-3-2-6-14(8-10)21(19,20)12-5-1-4-11(7-12)15(17)18/h1,4-5,7,10H,2-3,6,8H2