3-isocyanato-1-(4-nitrophenyl)sulfonyl-piperidine

Systemtic Name: 3-isocyanato-1-(4-nitrophenyl)sulfonyl-piperidine Openeye Name: 3-isocyanato-1-(4-nitrophenyl)sulfonyl-piperidine CAS Name: 3-isocyanato-1-(4-nitrophenyl)sulfonylpiperidine IUPAC Name: 3-isocyanato-1-(4-nitrophenyl)sulfonylpiperidine Traditional Name: 3-isocyanato-1-nosyl-piperidine Formula: C12H13N3O5S MolecularWeight: 311.31372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O5S/c16-9-13-10-2-1-7-14(8-10)21(19,20)12-5-3-11(4-6-12)15(17)18/h3-6,10H,1-2,7-8H2