3-isocyanato-1-(2-nitrophenyl)sulfonyl-piperidine

Systemtic Name: 3-isocyanato-1-(2-nitrophenyl)sulfonyl-piperidine Openeye Name: 3-isocyanato-1-(2-nitrophenyl)sulfonyl-piperidine CAS Name: 3-isocyanato-1-(2-nitrophenyl)sulfonylpiperidine IUPAC Name: 3-isocyanato-1-(2-nitrophenyl)sulfonylpiperidine Traditional Name: 3-isocyanato-1-(2-nitrophenyl)sulfonyl-piperidine Formula: C12H13N3O5S MolecularWeight: 311.31372

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