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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N=C=O)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1N=C=O)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

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