(2S)-2-ethyl-1-(4-isothiocyanatophenyl)sulfonyl-piperidine

Systemtic Name: (2S)-2-ethyl-1-(4-isothiocyanatophenyl)sulfonyl-piperidine Openeye Name: (2S)-2-ethyl-1-(4-isothiocyanatophenyl)sulfonyl-piperidine CAS Name: (2S)-2-ethyl-1-(4-isothiocyanatophenyl)sulfonylpiperidine IUPAC Name: (2S)-2-ethyl-1-(4-isothiocyanatophenyl)sulfonylpiperidine Traditional Name: (2S)-2-ethyl-1-(4-isothiocyanatophenyl)sulfonyl-piperidine Formula: C14H18N2O2S2 MolecularWeight: 310.43492

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)N=C=S

Isomeric SMILES

CC[C@H]1CCCCN1S(=O)(=O)C2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C14H18N2O2S2/c1-2-13-5-3-4-10-16(13)20(17,18)14-8-6-12(7-9-14)15-11-19/h6-9,13H,2-5,10H2,1H3/t13-/m0/s1