(3S)-3-isocyanato-1-(phenylmethyl)sulfonyl-piperidine

Systemtic Name: (3S)-3-isocyanato-1-(phenylmethyl)sulfonyl-piperidine Openeye Name: (3S)-1-benzylsulfonyl-3-isocyanato-piperidine CAS Name: (3S)-3-isocyanato-1-(phenylmethyl)sulfonylpiperidine IUPAC Name: (3S)-1-benzylsulfonyl-3-isocyanatopiperidine Traditional Name: (3S)-1-benzylsulfonyl-3-isocyanato-piperidine Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)CC2=CC=CC=C2)N=C=O

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)CC2=CC=CC=C2)N=C=O

InChI

InChI=1S/C13H16N2O3S/c16-11-14-13-7-4-8-15(9-13)19(17,18)10-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-10H2/t13-/m0/s1