(3S,5S)-1-(4-isothiocyanatophenyl)sulfonyl-3,5-dimethyl-piperidine

Systemtic Name: (3S,5S)-1-(4-isothiocyanatophenyl)sulfonyl-3,5-dimethyl-piperidine Openeye Name: (3S,5S)-1-(4-isothiocyanatophenyl)sulfonyl-3,5-dimethyl-piperidine CAS Name: (3S,5S)-1-(4-isothiocyanatophenyl)sulfonyl-3,5-dimethylpiperidine IUPAC Name: (3S,5S)-1-(4-isothiocyanatophenyl)sulfonyl-3,5-dimethylpiperidine Traditional Name: (3S,5S)-1-(4-isothiocyanatophenyl)sulfonyl-3,5-dimethyl-piperidine Formula: C14H18N2O2S2 MolecularWeight: 310.43492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)N=C=S)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)N=C=S)C

InChI

InChI=1S/C14H18N2O2S2/c1-11-7-12(2)9-16(8-11)20(17,18)14-5-3-13(4-6-14)15-10-19/h3-6,11-12H,7-9H2,1-2H3/t11-,12-/m0/s1