4-isocyanato-1-(phenylmethyl)sulfonyl-piperidine

Systemtic Name: 4-isocyanato-1-(phenylmethyl)sulfonyl-piperidine Openeye Name: 1-benzylsulfonyl-4-isocyanato-piperidine CAS Name: 4-isocyanato-1-(phenylmethyl)sulfonylpiperidine IUPAC Name: 1-benzylsulfonyl-4-isocyanatopiperidine Traditional Name: 1-benzylsulfonyl-4-isocyanato-piperidine Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N=C=O)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

C1CN(CCC1N=C=O)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C13H16N2O3S/c16-11-14-13-6-8-15(9-7-13)19(17,18)10-12-4-2-1-3-5-12/h1-5,13H,6-10H2