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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)N=C=O)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C(C1)N=C=O)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

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